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

Formula:C33H32N2O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-cyclohexyl-4,6-dioxo-3-phenyl-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	5-cyclohexyl-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C33H32N2O4
Smiles	OC(C(C(C1C(N2C3CCCCC3)=O)C2=O)(c2ccccc2)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C33H32N2O4/c36-30-27-28(31(37)35(30)26-14-8-3-9-15-26)33(32(38)39,25-12-6-2-7-13-25)34-29(27)24-20-18-23(19-21-24)17-16-22-10-4-1-5-11-22/h1-2,4-7,10-13,16-21,26-29,34H,3,8-9,14-15H2,(H,38,39)
InChIK	APSSEMJUBNOWGK-UHFFFAOYSA-N
TotalMolweight	520.627
Molweight	520.627
MonoisotopicMass	520.236208
CLogP	2.6509
CLogS	-5.895
H Acceptors	6
H Donors	2
TotalSurfaceArea	389.35
Relative PSA	0.17267
PolarSurfaceArea	86.71
Druglikeness	-2.0367
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	12
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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

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