(Z)-N-benzyl-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyanoprop-2-enamide

Formula:C22H18N3O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-N-benzyl-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(Z)-N-benzyl-3-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C22H18N3O4ClS
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c1ccc(CNS(c(cc2)ccc2Cl)(=O)=O)o1
InChI	InChI=1S/C22H18ClN3O4S/c23-18-6-10-21(11-7-18)31(28,29)26-15-20-9-8-19(30-20)12-17(13-24)22(27)25-14-16-4-2-1-3-5-16/h1-12,26H,14-15H2,(H,25,27)
InChIK	OJVTXHDWHDOSFP-UHFFFAOYSA-N
TotalMolweight	455.921
Molweight	455.921
MonoisotopicMass	455.070654
CLogP	3.0899
CLogS	-4.904
H Acceptors	7
H Donors	2
TotalSurfaceArea	341.08
Relative PSA	0.27035
PolarSurfaceArea	120.58
Druglikeness	1.9257
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	5
Amides	2
StereoCon

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