(E)-3-(4-fluorophenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]prop-2-enamide

Formula:C18H16N3O2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C18H16N3O2FS
Smiles	O=C(Cc1ccccc1)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C18H16FN3O2S/c19-15-9-6-13(7-10-15)8-11-16(23)20-18(25)22-21-17(24)12-14-4-2-1-3-5-14/h1-11H,12H2,(H,21,24)(H2,20,22,23,25)
InChIK	VDCNEBPLTMKOTL-UHFFFAOYSA-N
TotalMolweight	357.408
Molweight	357.408
MonoisotopicMass	357.094725
CLogP	2.2281
CLogS	-4.504
H Acceptors	5
H Donors	3
TotalSurfaceArea	282.22
Relative PSA	0.31344
PolarSurfaceArea	102.32
Druglikeness	-0.16703
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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