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

Formula:C23H16N3O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3-chlorophenyl)furan-2-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-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C23H16N3O2ClS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1ccc(-c2cccc(Cl)c2)o1
InChI	InChI=1S/C23H16ClN3O2S/c24-16-5-3-4-14(10-16)20-9-8-17(29-20)11-15(12-25)22(28)27-23-19(13-26)18-6-1-2-7-21(18)30-23/h3-5,8-11H,1-2,6-7H2,(H,27,28)
InChIK	NHNIFBUBULZPKR-UHFFFAOYSA-N
TotalMolweight	433.918
Molweight	433.918
MonoisotopicMass	433.065174
CLogP	5.5818
CLogS	-7.991
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.71
Relative PSA	0.25875
PolarSurfaceArea	118.06
Druglikeness	-4.2575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
StereoCon

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

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