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

Formula:C16H13N3O3Br2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C16H13N3O3Br2S2
Smiles	O=C(COc(ccc(Br)c1)c1Br)NNC(NC(/C=C/c1cccs1)=O)=S
InChI	InChI=1S/C16H13Br2N3O3S2/c17-10-3-5-13(12(18)8-10)24-9-15(23)20-21-16(25)19-14(22)6-4-11-2-1-7-26-11/h1-8H,9H2,(H,20,23)(H2,19,21,22,25)
InChIK	JJDZSGUZOMNNRN-UHFFFAOYSA-N
TotalMolweight	519.237
Molweight	519.237
MonoisotopicMass	516.876504
CLogP	3.0211
CLogS	-5.683
H Acceptors	6
H Donors	3
TotalSurfaceArea	319.07
Relative PSA	0.37239
PolarSurfaceArea	139.79
Druglikeness	1.1331
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
StereoCon

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