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

Formula:C29H23N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C29H23N5O2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2
InChI	InChI=1S/C29H23N5O2S/c30-15-19(28(36)33-29-24(16-31)23-11-5-7-13-26(23)37-29)14-20-17-34(25-12-6-4-10-22(20)25)18-27(35)32-21-8-2-1-3-9-21/h1-4,6,8-10,12,14,17H,5,7,11,13,18H2,(H,32,35)(H,33,36)
InChIK	KELMOLRNOUMVCH-UHFFFAOYSA-N
TotalMolweight	505.601
Molweight	505.601
MonoisotopicMass	505.157245
CLogP	4.8512
CLogS	-6.962
H Acceptors	7
H Donors	2
TotalSurfaceArea	394.37
Relative PSA	0.26206
PolarSurfaceArea	138.95
Druglikeness	-3.4712
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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