3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C23H26N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C23H26N2O6
Smiles	OC(CC(C(C1C(N2C3CCCCC3)=O)C2=O)(C(O)=O)NC1/C=C/c1ccccc1)=O
InChI	InChI=1S/C23H26N2O6/c26-17(27)13-23(22(30)31)19-18(16(24-23)12-11-14-7-3-1-4-8-14)20(28)25(21(19)29)15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15-16,18-19,24H,2,5-6,9-10,13H2,(H,26,27)(H,30,31)/b12-11+
InChIK	ISTYDVPAVDBMSY-VAWYXSNFSA-N
TotalMolweight	426.467
Molweight	426.467
MonoisotopicMass	426.179088
CLogP	-1.0826
CLogS	-3.307
H Acceptors	8
H Donors	3
TotalSurfaceArea	307.69
Relative PSA	0.30345
PolarSurfaceArea	124.01
Druglikeness	-2.4917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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1 - 3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

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