(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula:C30H23N3O2S Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(naphthalen-1-ylmethoxy)phenyl]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-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C30H23N3O2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc1)ccc1OCc1cccc2ccccc12
InChI	InChI=1S/C30H23N3O2S/c31-17-23(29(34)33-30-27(18-32)26-10-3-4-11-28(26)36-30)16-20-12-14-24(15-13-20)35-19-22-8-5-7-21-6-1-2-9-25(21)22/h1-2,5-9,12-16H,3-4,10-11,19H2,(H,33,34)
InChIK	LFLQUJAZFBVPHQ-UHFFFAOYSA-N
TotalMolweight	489.598
Molweight	489.598
MonoisotopicMass	489.151097
CLogP	6.5794
CLogS	-8.742
H Acceptors	5
H Donors	1
TotalSurfaceArea	385.96
Relative PSA	0.21241
PolarSurfaceArea	114.15
Druglikeness	-5.371
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide | 2 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

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