(E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide

Formula:C18H15N3O3BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C18H15N3O3BrClS
Smiles	O=C(COc(ccc(Br)c1)c1Cl)NNC(NC(/C=C/c1ccccc1)=O)=S
InChI	InChI=1S/C18H15BrClN3O3S/c19-13-7-8-15(14(20)10-13)26-11-17(25)22-23-18(27)21-16(24)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25)(H2,21,23,24,27)
InChIK	AFWOIBRWDFUTKG-UHFFFAOYSA-N
TotalMolweight	468.758
Molweight	468.758
MonoisotopicMass	466.9706
CLogP	3.0353
CLogS	-5.575
H Acceptors	6
H Donors	3
TotalSurfaceArea	319.92
Relative PSA	0.30776
PolarSurfaceArea	111.55
Druglikeness	-0.5966
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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