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

Formula:C30H28N2O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-(hydroxymethyl)-4,6-dioxo-5-(2-phenoxyethyl)-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-(hydroxymethyl)-4,6-dioxo-5-(2-phenoxyethyl)-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C30H28N2O6
Smiles	OCC(C(C1C(N2CCOc3ccccc3)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1
InChI	InChI=1S/C30H28N2O6/c33-19-30(29(36)37)25-24(27(34)32(28(25)35)17-18-38-23-9-5-2-6-10-23)26(31-30)22-15-13-21(14-16-22)12-11-20-7-3-1-4-8-20/h1-16,24-26,31,33H,17-19H2,(H,36,37)
InChIK	WHXINOLWZUOXGR-UHFFFAOYSA-N
TotalMolweight	512.56
Molweight	512.56
MonoisotopicMass	512.194738
CLogP	0.3074
CLogS	-4.043
H Acceptors	8
H Donors	3
TotalSurfaceArea	379.18
Relative PSA	0.23822
PolarSurfaceArea	116.17
Druglikeness	4.8237
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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

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