(E)-4-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

Formula:C12H12N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C12H12N2O4S
Smiles	NC(c1c(NC(/C=C/C(O)=O)=O)sc2c1CCC2)=O
InChI	InChI=1S/C12H12N2O4S/c13-11(18)10-6-2-1-3-7(6)19-12(10)14-8(15)4-5-9(16)17/h4-5H,1-3H2,(H2,13,18)(H,14,15)(H,16,17)
InChIK	IBRIYRXUASBBOC-UHFFFAOYSA-N
TotalMolweight	280.303
Molweight	280.303
MonoisotopicMass	280.051778
CLogP	0.7019
CLogS	-2.816
H Acceptors	6
H Donors	3
TotalSurfaceArea	203.06
Relative PSA	0.48907
PolarSurfaceArea	137.73
Druglikeness	1.3358
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-4-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid | 2 - (E)-4-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

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