(E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C25H17N2O3ClS Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C25H17N2O3ClS
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)cc(Cl)c1C1=Cc(cccc2)c2OC1=O)=S
InChI	InChI=1S/C25H17ClN2O3S/c26-21-15-18(27-25(32)28-23(29)13-10-16-6-2-1-3-7-16)11-12-19(21)20-14-17-8-4-5-9-22(17)31-24(20)30/h1-15H,(H2,27,28,29,32)
InChIK	FZPHIGFANFNMMY-UHFFFAOYSA-N
TotalMolweight	460.94
Molweight	460.94
MonoisotopicMass	460.06484
CLogP	5.0177
CLogS	-6.49
H Acceptors	5
H Donors	2
TotalSurfaceArea	347.04
Relative PSA	0.25069
PolarSurfaceArea	99.52
Druglikeness	0.63286
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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