(Z)-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Formula:C21H17N4O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
MolecularFormula	C21H17N4O4ClS
Smiles	N#C/C(/C(NCc1cnccc1)=O)=C/c1ccc(CNS(c(cc2)ccc2Cl)(=O)=O)o1
InChI	InChI=1S/C21H17ClN4O4S/c22-17-3-7-20(8-4-17)31(28,29)26-14-19-6-5-18(30-19)10-16(11-23)21(27)25-13-15-2-1-9-24-12-15/h1-10,12,26H,13-14H2,(H,25,27)
InChIK	BUOPSEHHXSSBES-UHFFFAOYSA-N
TotalMolweight	456.909
Molweight	456.909
MonoisotopicMass	456.065903
CLogP	2.089
CLogS	-4.109
H Acceptors	8
H Donors	2
TotalSurfaceArea	339.84
Relative PSA	0.30361
PolarSurfaceArea	133.47
Druglikeness	2.3653
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (Z)-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide | 2 - (Z)-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

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