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

Formula:C26H20N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-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-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C26H20N3O2ClS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1cccc(OCc(cccc2)c2Cl)c1
InChI	InChI=1S/C26H20ClN3O2S/c27-23-10-3-1-7-18(23)16-32-20-8-5-6-17(13-20)12-19(14-28)25(31)30-26-22(15-29)21-9-2-4-11-24(21)33-26/h1,3,5-8,10,12-13H,2,4,9,11,16H2,(H,30,31)
InChIK	KTBLBTYKIAFNCZ-UHFFFAOYSA-N
TotalMolweight	473.983
Molweight	473.983
MonoisotopicMass	473.096474
CLogP	5.991
CLogS	-7.872
H Acceptors	5
H Donors	1
TotalSurfaceArea	366.78
Relative PSA	0.22351
PolarSurfaceArea	114.15
Druglikeness	-5.3111
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Amides	1
StereoCon

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

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