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

Formula:C22H18N3O3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C22H18N3O3FS
Smiles	O=C(COc1cccc2ccccc12)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C22H18FN3O3S/c23-17-11-8-15(9-12-17)10-13-20(27)24-22(30)26-25-21(28)14-29-19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2,(H,25,28)(H2,24,26,27,30)
InChIK	BZEUVSQGEHQWOJ-UHFFFAOYSA-N
TotalMolweight	423.467
Molweight	423.467
MonoisotopicMass	423.10529
CLogP	2.9993
CLogS	-5.925
H Acceptors	6
H Donors	3
TotalSurfaceArea	326.82
Relative PSA	0.30127
PolarSurfaceArea	111.55
Druglikeness	-0.22025
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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