(E)-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C18H15N3O3BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C18H15N3O3BrFS
Smiles	O=C(COc(cc1)ccc1Br)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C18H15BrFN3O3S/c19-13-4-8-15(9-5-13)26-11-17(25)22-23-18(27)21-16(24)10-3-12-1-6-14(20)7-2-12/h1-10H,11H2,(H,22,25)(H2,21,23,24,27)
InChIK	RSJBSQGGFQNHLH-UHFFFAOYSA-N
TotalMolweight	452.303
Molweight	452.303
MonoisotopicMass	451.000151
CLogP	2.5301
CLogS	-5.153
H Acceptors	6
H Donors	3
TotalSurfaceArea	310.85
Relative PSA	0.31674
PolarSurfaceArea	111.55
Druglikeness	-2.0103
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.74074
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	4
Amides	1
StereoCon

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