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

Formula:C30H25N3O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-(1H-indol-3-ylmethyl)-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	3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C30H25N3O4
Smiles	OC(C(Cc1c[nH]c2c1cccc2)(C(C1C(N2)=O)C2=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C30H25N3O4/c34-27-24-25(28(35)32-27)30(29(36)37,16-21-17-31-23-9-5-4-8-22(21)23)33-26(24)20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18/h1-15,17,24-26,31,33H,16H2,(H,36,37)(H,32,34,35)
InChIK	AGLRNLYPQQDDDP-UHFFFAOYSA-N
TotalMolweight	491.546
Molweight	491.546
MonoisotopicMass	491.184507
CLogP	1.0375
CLogS	-5.322
H Acceptors	7
H Donors	4
TotalSurfaceArea	360.64
Relative PSA	0.24714
PolarSurfaceArea	111.29
Druglikeness	2.8362
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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