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

Formula:C30H26N2O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-benzyl-3-(carboxymethyl)-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	5-benzyl-3-(carboxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C30H26N2O6
Smiles	OC(CC(C(C1C(N2Cc3ccccc3)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C30H26N2O6/c33-23(34)17-30(29(37)38)25-24(27(35)32(28(25)36)18-21-9-5-2-6-10-21)26(31-30)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,24-26,31H,17-18H2,(H,33,34)(H,37,38)
InChIK	LGOOVHBBFVNBQL-UHFFFAOYSA-N
TotalMolweight	510.544
Molweight	510.544
MonoisotopicMass	510.179088
CLogP	0.4053
CLogS	-4.368
H Acceptors	8
H Donors	3
TotalSurfaceArea	373.17
Relative PSA	0.25021
PolarSurfaceArea	124.01
Druglikeness	3.9427
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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