2-[[(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C23H17N3O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C23H17N3O3Cl2S
Smiles	NC(c1c(NC(/C(/C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C23H17Cl2N3O3S/c24-14-7-12(8-15(25)10-14)18-6-5-16(31-18)9-13(11-26)22(30)28-23-20(21(27)29)17-3-1-2-4-19(17)32-23/h5-10H,1-4H2,(H2,27,29)(H,28,30)
InChIK	CNTUKNPCPNNIOJ-UHFFFAOYSA-N
TotalMolweight	486.378
Molweight	486.378
MonoisotopicMass	485.036766
CLogP	5.4395
CLogS	-8.043
H Acceptors	6
H Donors	2
TotalSurfaceArea	352.69
Relative PSA	0.28592
PolarSurfaceArea	137.36
Druglikeness	-3.5061
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	3
Amides	2
StereoCon

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1 - 2-[[(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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