5-(2-anilinoethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C29H27N3O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-(2-anilinoethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	5-(2-anilinoethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C29H27N3O4
Smiles	OC(C(C(C1C(N2CCNc3ccccc3)=O)C2=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C29H27N3O4/c33-27-23-24(28(34)32(27)18-17-30-22-9-5-2-6-10-22)26(29(35)36)31-25(23)21-15-13-20(14-16-21)12-11-19-7-3-1-4-8-19/h1-16,23-26,30-31H,17-18H2,(H,35,36)
InChIK	AXDUQJRDSRFSOI-UHFFFAOYSA-N
TotalMolweight	481.55
Molweight	481.55
MonoisotopicMass	481.200157
CLogP	0.6531
CLogS	-4.483
H Acceptors	7
H Donors	3
TotalSurfaceArea	362.62
Relative PSA	0.217
PolarSurfaceArea	98.74
Druglikeness	4.8731
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
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	8
Symmetricatoms	6
Amides	1
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 5-(2-anilinoethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 5-(2-anilinoethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

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