(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide

Formula:C28H20N4OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide
MolecularFormula	C28H20N4OCl2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2
InChI	InChI=1S/C28H20Cl2N4OS/c29-23-10-9-17(11-24(23)30)15-34-16-19(20-5-1-3-7-25(20)34)12-18(13-31)27(35)33-28-22(14-32)21-6-2-4-8-26(21)36-28/h1,3,5,7,9-12,16H,2,4,6,8,15H2,(H,33,35)
InChIK	OVHYPXYQUUTHGW-UHFFFAOYSA-N
TotalMolweight	531.466
Molweight	531.466
MonoisotopicMass	530.073485
CLogP	6.7786
CLogS	-8.245
H Acceptors	5
H Donors	1
TotalSurfaceArea	396
Relative PSA	0.19912
PolarSurfaceArea	109.85
Druglikeness	-3.7182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide

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