Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence.MolEngine
Molecule Class
Molecule Methods
AddMixtureBracket Method
BondedAtoms Method
BreakMetalBonds Method
CheckHELMMonomer Method
Clear Method
ClearColor Method
CLogP Method
Clone Method
Clone2 Method
ComputeHashCode Method
ConnectFragments Method
ConnectMulticenter Method
ConvertAttachPoints2Rs Method
ConvertRs2AttachPoints Method
ConvertTo3D Method
CopyTo Method
CopyToImp Method
CorrectMolChiral Method
CorrectNitroGroup Method
CountAtoms Method
CountRings Method
DetectChirality Method
Dump Method
ElementalAnalysis Method
EqualsTo Method
ExpandSuperAtoms Method
ExpandSuperAtomsAndCleanup Method
FlattenMol Method
FormalCharge Method
Formula2ExactMass Method
Formula2MolWeight Method
GetAllChiralCenters Method
GetAllMarkedChiralCenters Method
GetAllUnmarkedChiralCenters Method
GetAtomByAtomMap Method
GetAtomByAtomType Method
GetAtomCIP Method
GetBound Method
GetExtinctionCoefficient Method
GetFingerprints Method
GetFormula Method
GetHelm Method
GetIsotopicAtoms Method
GetMFwithSalt Method
GetMolWeight Method
GetMWwithSalt Method
GetRadar Method
GetRGroups Method
GetSequence Method
GetSequenceComments Method
GetSequences Method
GetStructureKeys Method
GetTexts Method
GetUnknownBonds Method
GetVariableAtoms Method
GuessBond Method
GuessSuperAtoms Method
HasAromaticBonds Method
HasBio Method
HasCoordinates Method
HasEnhancedStereochemistry Method
HasHelmNodes Method
HasQueryAtoms Method
HasRGroups Method
HasStereoCenter Method
HasSuperAtom Method
HasUnmarkedChiralCenter Method
HasZCoordinates Method
Highlight Method
IsGenericStructure Method
IsMacroMolecule Method
LayoutScaffold Method
MarkLockedAtomExcluded Method
Merge Method
mZ Method
NeedV3000 Method
Neutralize Method
NeutralizeIonBonds Method
NormalizeFormula Method
NormalizeFormulaWithCharges Method
NumberOfHydrogenAcceptors Method
NumberOfHydrogenDonors Method
NumberOfRotableBonds Method
NumberOfRotatableBonds Method
ParseChirality Method
ParseMoleculeType Method
Read Method
ReadFile Method
ReadHelm Method
ReadInChI Method
ReadName Method
ReadSMILES Method
RelayoutMols Method
RemoveAtomIsotopes Method
RemoveAtomMaps Method
RemoveDummyBonds Method
RemoveHydrogens Method
ResetAtomID Method
SaltStripping Method
SetColor Method
SetModified Method
SplitAsMol Method
SplitAsSet Method
StripSalts Method
SubstructureOf Method
SuperstructureOf Method
TanimotoSimilarity Method
XLogP Method
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MoleculeNumberOfRotatableBonds Method

Compute the total number of rotable bonds. Rotatable bond is defined as any single non-ring bond, bounded to nonterminal heavy (i.e., non-hydrogen) atom

Namespace:  Scilligence.MolEngine
Assembly:  Scilligence.MolEngine (in Scilligence.MolEngine.dll) Version: 1.3.0.0 (7.0.0.39951)
Syntax
C#
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public int NumberOfRotatableBonds()

Return Value

Type: Int32
The total number of rotable bonds.
See Also