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

Formula:C18H14N3O3Br2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C18H14N3O3Br2FS
Smiles	O=C(COc(ccc(Br)c1)c1Br)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C18H14Br2FN3O3S/c19-12-4-7-15(14(20)9-12)27-10-17(26)23-24-18(28)22-16(25)8-3-11-1-5-13(21)6-2-11/h1-9H,10H2,(H,23,26)(H2,22,24,25,28)
InChIK	QEDIKMXISQAEKT-UHFFFAOYSA-N
TotalMolweight	531.199
Molweight	531.199
MonoisotopicMass	528.910662
CLogP	3.2553
CLogS	-5.987
H Acceptors	6
H Donors	3
TotalSurfaceArea	329.48
Relative PSA	0.29883
PolarSurfaceArea	111.55
Druglikeness	-2.0103
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
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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