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

Formula:C34H27N3O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-benzyl-5-(3-nitrophenyl)-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-(3-nitrophenyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C34H27N3O6
Smiles	[O-][N+](c1cc(N(C(C(C23)C(c4ccc(/C=C/c5ccccc5)cc4)NC3(Cc3ccccc3)C(O)=O)=O)C2=O)ccc1)=O
InChI	InChI=1S/C34H27N3O6/c38-31-28-29(32(39)36(31)26-12-7-13-27(20-26)37(42)43)34(33(40)41,21-24-10-5-2-6-11-24)35-30(28)25-18-16-23(17-19-25)15-14-22-8-3-1-4-9-22/h1-20,28-30,35H,21H2,(H,40,41)
InChIK	BYTAMTKJRUDTAT-UHFFFAOYSA-N
TotalMolweight	573.603
Molweight	573.603
MonoisotopicMass	573.189987
CLogP	1.8246
CLogS	-6.74
H Acceptors	9
H Donors	2
TotalSurfaceArea	418.74
Relative PSA	0.2332
PolarSurfaceArea	132.53
Druglikeness	-2.5922
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44186
Fragments	1
Non HAtoms	43
NonCHAtoms	9
Electronegative Atoms	9
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
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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1 - 3-benzyl-5-(3-nitrophenyl)-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-(3-nitrophenyl)-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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