2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide

Formula:C25H19N3OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide is not a drug-like molecule.

MolName	2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
MolecularFormula	C25H19N3OCl2S
Smiles	N#Cc1c(/C=C\c2ccccc2)c(CCC2)c2nc1SCC(Nc1cc(Cl)cc(Cl)c1)=O
InChI	InChI=1S/C25H19Cl2N3OS/c26-17-11-18(27)13-19(12-17)29-24(31)15-32-25-22(14-28)20(21-7-4-8-23(21)30-25)10-9-16-5-2-1-3-6-16/h1-3,5-6,9-13H,4,7-8,15H2,(H,29,31)
InChIK	OCEMEKFOUJJSGJ-UHFFFAOYSA-N
TotalMolweight	480.418
Molweight	480.418
MonoisotopicMass	479.062586
CLogP	6.2398
CLogS	-7.865
H Acceptors	4
H Donors	1
TotalSurfaceArea	358.83
Relative PSA	0.18538
PolarSurfaceArea	91.08
Druglikeness	-5.6682
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide | 2 - 2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide

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