(E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate

Formula:C13H13N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
MolecularFormula	C13H13N2O4S
Smiles	NC(c1c(NC(/C=C/C([O-])=O)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C13H14N2O4S/c14-12(19)11-7-3-1-2-4-8(7)20-13(11)15-9(16)5-6-10(17)18/h5-6H,1-4H2,(H2,14,19)(H,15,16)(H,17,18)/p-1
InChIK	MZFPKQUBJJOMRR-UHFFFAOYSA-M
TotalMolweight	293.322
Molweight	293.322
MonoisotopicMass	293.059603
CLogP	-1.0321
CLogS	-3.086
H Acceptors	6
H Donors	2
TotalSurfaceArea	218
Relative PSA	0.46096
PolarSurfaceArea	140.56
Druglikeness	-1.965
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate | 2 - (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate

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