(E)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-3-phenylprop-2-enamide

Formula:C17H14N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C17H14N4O2S
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)cc(N2)c1NC2=O)=S
InChI	InChI=1S/C17H14N4O2S/c22-15(9-6-11-4-2-1-3-5-11)21-17(24)18-12-7-8-13-14(10-12)20-16(23)19-13/h1-10H,(H2,19,20,23)(H2,18,21,22,24)
InChIK	PLYCRVVGKLGRLD-UHFFFAOYSA-N
TotalMolweight	338.39
Molweight	338.39
MonoisotopicMass	338.083746
CLogP	2.2104
CLogS	-4.985
H Acceptors	6
H Donors	4
TotalSurfaceArea	260.07
Relative PSA	0.3842
PolarSurfaceArea	114.35
Druglikeness	-0.31009
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	3
StereoCon

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