(E)-3-(furan-2-yl)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]prop-2-enamide

Formula:C15H13N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(furan-2-yl)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C15H13N3O4S
Smiles	Oc(cccc1)c1C(NNC(NC(/C=C/c1ccco1)=O)=S)=O
InChI	InChI=1S/C15H13N3O4S/c19-12-6-2-1-5-11(12)14(21)17-18-15(23)16-13(20)8-7-10-4-3-9-22-10/h1-9,19H,(H,17,21)(H2,16,18,20,23)
InChIK	UKFZGQFGPPNREP-UHFFFAOYSA-N
TotalMolweight	331.351
Molweight	331.351
MonoisotopicMass	331.062677
CLogP	0.9722
CLogS	-3.611
H Acceptors	7
H Donors	4
TotalSurfaceArea	258.15
Relative PSA	0.44807
PolarSurfaceArea	135.69
Druglikeness	1.2665
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

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