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

Formula:C21H16N3O3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C21H16N3O3FS
Smiles	Oc1cc2ccccc2cc1C(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=O
InChI	InChI=1S/C21H16FN3O3S/c22-16-8-5-13(6-9-16)7-10-19(27)23-21(29)25-24-20(28)17-11-14-3-1-2-4-15(14)12-18(17)26/h1-12,26H,(H,24,28)(H2,23,25,27,29)
InChIK	UACABERIIAMLNL-UHFFFAOYSA-N
TotalMolweight	409.44
Molweight	409.44
MonoisotopicMass	409.08964
CLogP	3.0787
CLogS	-5.849
H Acceptors	6
H Donors	4
TotalSurfaceArea	309.41
Relative PSA	0.32824
PolarSurfaceArea	122.55
Druglikeness	-0.23769
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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