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

Formula:C29H26N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4,6-dioxo-5-phenyl-1-[(E)-2-phenylethenyl]-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	4,6-dioxo-5-phenyl-1-[(E)-2-phenylethenyl]-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C29H26N2O5
Smiles	OC(C(COCc1ccccc1)(C(C1C(N2c3ccccc3)=O)C2=O)NC1/C=C/c1ccccc1)=O
InChI	InChI=1S/C29H26N2O5/c32-26-24-23(17-16-20-10-4-1-5-11-20)30-29(28(34)35,19-36-18-21-12-6-2-7-13-21)25(24)27(33)31(26)22-14-8-3-9-15-22/h1-17,23-25,30H,18-19H2,(H,34,35)/b17-16+
InChIK	YXEFOHNFMBTLTI-WUKNDPDISA-N
TotalMolweight	482.534
Molweight	482.534
MonoisotopicMass	482.184173
CLogP	0.5981
CLogS	-4.777
H Acceptors	7
H Donors	2
TotalSurfaceArea	359.07
Relative PSA	0.21508
PolarSurfaceArea	95.94
Druglikeness	1.2633
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
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	1
StereoCon	unknown chirality

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

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