(E)-3-(4-fluorophenyl)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]prop-2-enamide

Formula:C22H18N3O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C22H18N3O2FS
Smiles	O=C(Cc1cccc2ccccc12)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C22H18FN3O2S/c23-18-11-8-15(9-12-18)10-13-20(27)24-22(29)26-25-21(28)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2,(H,25,28)(H2,24,26,27,29)
InChIK	DBXFKRPKADTMAT-UHFFFAOYSA-N
TotalMolweight	407.468
Molweight	407.468
MonoisotopicMass	407.110375
CLogP	3.4225
CLogS	-6.11
H Acceptors	5
H Donors	3
TotalSurfaceArea	316.82
Relative PSA	0.27921
PolarSurfaceArea	102.32
Druglikeness	-0.16703
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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