N-cyclohexyl-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Formula:C23H31N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-cyclohexyl-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is a drug-like molecule.

MolName	N-cyclohexyl-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
MolecularFormula	C23H31N3O2S
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(NC2CCCCC2)=O)SCC1
InChI	InChI=1S/C23H31N3O2S/c27-21(12-11-19-7-3-1-4-8-19)26-17-18-29-23(26)13-15-25(16-14-23)22(28)24-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20H,2,5-6,9-10,13-18H2,(H,24,28)
InChIK	FQYJPESTANYKKJ-UHFFFAOYSA-N
TotalMolweight	413.584
Molweight	413.584
MonoisotopicMass	413.213697
CLogP	4.4646
CLogS	-5.156
H Acceptors	5
H Donors	1
TotalSurfaceArea	318.58
Relative PSA	0.19502
PolarSurfaceArea	77.95
Druglikeness	-0.38123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	6
Amides	3
StereoCon

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