(E)-N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C18H18N2O2S Mutagenic:low Tumorigenic:none Reproductive Effective:high (E)-N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C18H18N2O2S
Smiles	OCCc(cc1)ccc1NC(NC(/C=C/c1ccccc1)=O)=S
InChI	InChI=1S/C18H18N2O2S/c21-13-12-15-6-9-16(10-7-15)19-18(23)20-17(22)11-8-14-4-2-1-3-5-14/h1-11,21H,12-13H2,(H2,19,20,22,23)
InChIK	CQGVIZDZLXDQBD-UHFFFAOYSA-N
TotalMolweight	326.419
Molweight	326.419
MonoisotopicMass	326.108898
CLogP	3.1515
CLogS	-4.039
H Acceptors	4
H Donors	3
TotalSurfaceArea	266.77
Relative PSA	0.28886
PolarSurfaceArea	93.45
Druglikeness	-2.4319
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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