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

Formula:C34H29N3O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-benzyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is not a drug-like molecule.

MolName	3-benzyl-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C34H29N3O4
Smiles	OC(C(Cc1ccccc1)(C(C1C(N2Cc3ncccc3)=O)C2=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C34H29N3O4/c38-31-28-29(32(39)37(31)22-27-13-7-8-20-35-27)34(33(40)41,21-25-11-5-2-6-12-25)36-30(28)26-18-16-24(17-19-26)15-14-23-9-3-1-4-10-23/h1-20,28-30,36H,21-22H2,(H,40,41)
InChIK	GKIXKSYGCJTABZ-UHFFFAOYSA-N
TotalMolweight	543.621
Molweight	543.621
MonoisotopicMass	543.215807
CLogP	1.7222
CLogS	-4.987
H Acceptors	7
H Donors	2
TotalSurfaceArea	407.59
Relative PSA	0.19186
PolarSurfaceArea	99.6
Druglikeness	3.5272
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46341
Fragments	1
Non HAtoms	41
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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

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