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

Formula:C18H16N3O3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C18H16N3O3FS
Smiles	O=C(COc1ccccc1)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C18H16FN3O3S/c19-14-9-6-13(7-10-14)8-11-16(23)20-18(26)22-21-17(24)12-25-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,24)(H2,20,22,23,26)
InChIK	XWCWDEDNSFNYBD-UHFFFAOYSA-N
TotalMolweight	373.407
Molweight	373.407
MonoisotopicMass	373.08964
CLogP	1.8049
CLogS	-4.319
H Acceptors	6
H Donors	3
TotalSurfaceArea	292.22
Relative PSA	0.33694
PolarSurfaceArea	111.55
Druglikeness	-0.22025
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.73077
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

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