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

Formula:C29H30N2O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is not a drug-like molecule.

MolName	3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C29H30N2O6
Smiles	OC(CC(C(C1C(N2C3CCCCC3)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C29H30N2O6/c32-22(33)17-29(28(36)37)24-23(26(34)31(27(24)35)21-9-5-2-6-10-21)25(30-29)20-15-13-19(14-16-20)12-11-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,21,23-25,30H,2,5-6,9-10,17H2,(H,32,33)(H,36,37)
InChIK	KJSUTYKVTPFAOC-UHFFFAOYSA-N
TotalMolweight	502.565
Molweight	502.565
MonoisotopicMass	502.210388
CLogP	0.5429
CLogS	-4.619
H Acceptors	8
H Donors	3
TotalSurfaceArea	367.45
Relative PSA	0.2541
PolarSurfaceArea	124.01
Druglikeness	-2.4917
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
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 - 3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 3-(carboxymethyl)-5-cyclohexyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

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

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