N-(2,6-dichlorophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Formula:C23H23N3O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,6-dichlorophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is not a drug-like molecule.

MolName	N-(2,6-dichlorophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
MolecularFormula	C23H23N3O2Cl2S
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(Nc(c(Cl)ccc2)c2Cl)=O)SCC1
InChI	InChI=1S/C23H23Cl2N3O2S/c24-18-7-4-8-19(25)21(18)26-22(30)27-13-11-23(12-14-27)28(15-16-31-23)20(29)10-9-17-5-2-1-3-6-17/h1-10H,11-16H2,(H,26,30)
InChIK	CWDIEYOERIDSGQ-UHFFFAOYSA-N
TotalMolweight	476.427
Molweight	476.427
MonoisotopicMass	475.088801
CLogP	5.8296
CLogS	-6.561
H Acceptors	5
H Donors	1
TotalSurfaceArea	341.38
Relative PSA	0.182
PolarSurfaceArea	77.95
Druglikeness	4.1147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	3
StereoCon

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