(E)-3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide

Formula:C28H23N3O3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
MolecularFormula	C28H23N3O3S
Smiles	O=C(COc(cccc1)c1-c1ccccc1)NNC(NC(/C=C/c1cccc2ccccc12)=O)=S
InChI	InChI=1S/C28H23N3O3S/c32-26(18-17-22-13-8-12-20-11-4-5-14-23(20)22)29-28(35)31-30-27(33)19-34-25-16-7-6-15-24(25)21-9-2-1-3-10-21/h1-18H,19H2,(H,30,33)(H2,29,31,32,35)
InChIK	KGTLPRXUDCDVGV-UHFFFAOYSA-N
TotalMolweight	481.575
Molweight	481.575
MonoisotopicMass	481.146012
CLogP	4.5577
CLogS	-7.697
H Acceptors	6
H Donors	3
TotalSurfaceArea	380.23
Relative PSA	0.25895
PolarSurfaceArea	111.55
Druglikeness	1.1197
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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