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

Formula:C34H34N2O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-benzyl-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-benzyl-5-cyclohexyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C34H34N2O4
Smiles	OC(C(Cc1ccccc1)(C(C1C(N2C3CCCCC3)=O)C2=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C34H34N2O4/c37-31-28-29(32(38)36(31)27-14-8-3-9-15-27)34(33(39)40,22-25-12-6-2-7-13-25)35-30(28)26-20-18-24(19-21-26)17-16-23-10-4-1-5-11-23/h1-2,4-7,10-13,16-21,27-30,35H,3,8-9,14-15,22H2,(H,39,40)
InChIK	LCHIHJLHQHANGJ-UHFFFAOYSA-N
TotalMolweight	534.654
Molweight	534.654
MonoisotopicMass	534.251858
CLogP	2.8067
CLogS	-6.009
H Acceptors	6
H Donors	2
TotalSurfaceArea	403.11
Relative PSA	0.16678
PolarSurfaceArea	86.71
Druglikeness	-2.9813
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45
Fragments	1
Non HAtoms	40
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	13
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 3-benzyl-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-benzyl-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-benzyl-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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