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

Formula:C28H29N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-cyclohexyl-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is not a drug-like molecule.

MolName	5-cyclohexyl-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C28H29N3O6
Smiles	[O-][N+](c1ccc(CC(C(C2C(N3C4CCCCC4)=O)C3=O)(C(O)=O)NC2/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C28H29N3O6/c32-25-23-22(16-13-18-7-3-1-4-8-18)29-28(27(34)35,17-19-11-14-21(15-12-19)31(36)37)24(23)26(33)30(25)20-9-5-2-6-10-20/h1,3-4,7-8,11-16,20,22-24,29H,2,5-6,9-10,17H2,(H,34,35)
InChIK	LNTGJNAPTZYCFP-UHFFFAOYSA-N
TotalMolweight	503.553
Molweight	503.553
MonoisotopicMass	503.205637
CLogP	0.2596
CLogS	-5.157
H Acceptors	9
H Donors	2
TotalSurfaceArea	367.02
Relative PSA	0.26606
PolarSurfaceArea	132.53
Druglikeness	-7.9795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	4
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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

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