4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate

Formula:C15H11N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate is a drug-like molecule.

MolName	4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzoate
MolecularFormula	C15H11N2O3S2
Smiles	[O-]C(c(cc1)ccc1NC(NC(/C=C/c1cccs1)=O)=S)=O
InChI	InChI=1S/C15H12N2O3S2/c18-13(8-7-12-2-1-9-22-12)17-15(21)16-11-5-3-10(4-6-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,21)/p-1
InChIK	UIUJCZSPMQHJQE-UHFFFAOYSA-M
TotalMolweight	331.395
Molweight	331.395
MonoisotopicMass	331.021108
CLogP	0.5944
CLogS	-4.066
H Acceptors	5
H Donors	2
TotalSurfaceArea	254.12
Relative PSA	0.43932
PolarSurfaceArea	141.59
Druglikeness	1.6714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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