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

Formula:C29H26N2O5 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-benzyl-3-(hydroxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	5-benzyl-3-(hydroxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C29H26N2O5
Smiles	OCC(C(C1C(N2Cc3ccccc3)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1
InChI	InChI=1S/C29H26N2O5/c32-18-29(28(35)36)24-23(26(33)31(27(24)34)17-21-9-5-2-6-10-21)25(30-29)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,23-25,30,32H,17-18H2,(H,35,36)
InChIK	QBZMXGFDWZIKEA-UHFFFAOYSA-N
TotalMolweight	482.534
Molweight	482.534
MonoisotopicMass	482.184173
CLogP	0.3005
CLogS	-4.116
H Acceptors	7
H Donors	3
TotalSurfaceArea	355.42
Relative PSA	0.22601
PolarSurfaceArea	106.94
Druglikeness	4.4291
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	7
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 - 5-benzyl-3-(hydroxymethyl)-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-(hydroxymethyl)-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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