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

Formula:C33H25N3O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-(3-nitrophenyl)-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-(3-nitrophenyl)-4,6-dioxo-3-phenyl-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C33H25N3O6
Smiles	[O-][N+](c1cc(N(C(C(C23)C(c4ccc(/C=C/c5ccccc5)cc4)NC3(C(O)=O)c3ccccc3)=O)C2=O)ccc1)=O
InChI	InChI=1S/C33H25N3O6/c37-30-27-28(31(38)35(30)25-12-7-13-26(20-25)36(41)42)33(32(39)40,24-10-5-2-6-11-24)34-29(27)23-18-16-22(17-19-23)15-14-21-8-3-1-4-9-21/h1-20,27-29,34H,(H,39,40)
InChIK	RJRXSHYIBXVFSE-UHFFFAOYSA-N
TotalMolweight	559.577
Molweight	559.577
MonoisotopicMass	559.174337
CLogP	1.6688
CLogS	-6.626
H Acceptors	9
H Donors	2
TotalSurfaceArea	404.98
Relative PSA	0.24112
PolarSurfaceArea	132.53
Druglikeness	-2.0057
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45238
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	4
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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