(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

Formula:C26H21N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)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-phenylmethoxyphenyl)prop-2-enamide
MolecularFormula	C26H21N3O2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C26H21N3O2S/c27-15-20(25(30)29-26-23(16-28)22-8-4-5-9-24(22)32-26)14-18-10-12-21(13-11-18)31-17-19-6-2-1-3-7-19/h1-3,6-7,10-14H,4-5,8-9,17H2,(H,29,30)
InChIK	MXDZATSNMGOBQN-UHFFFAOYSA-N
TotalMolweight	439.538
Molweight	439.538
MonoisotopicMass	439.135447
CLogP	5.385
CLogS	-7.136
H Acceptors	5
H Donors	1
TotalSurfaceArea	351.36
Relative PSA	0.23332
PolarSurfaceArea	114.15
Druglikeness	-5.371
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
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-phenylmethoxyphenyl)prop-2-enamide | 2 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

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