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

Formula:C31H28N2O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-(carboxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-(2-phenylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is not a drug-like molecule.

MolName	3-(carboxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-(2-phenylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C31H28N2O6
Smiles	OC(CC(C(C1C(N2CCc3ccccc3)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C31H28N2O6/c34-24(35)19-31(30(38)39)26-25(28(36)33(29(26)37)18-17-21-9-5-2-6-10-21)27(32-31)23-15-13-22(14-16-23)12-11-20-7-3-1-4-8-20/h1-16,25-27,32H,17-19H2,(H,34,35)(H,38,39)
InChIK	CWNOLEITAKTOIM-UHFFFAOYSA-N
TotalMolweight	524.571
Molweight	524.571
MonoisotopicMass	524.194738
CLogP	0.8354
CLogS	-4.48
H Acceptors	8
H Donors	3
TotalSurfaceArea	386.93
Relative PSA	0.24131
PolarSurfaceArea	124.01
Druglikeness	4.1853
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

Click to Load Molecule:

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

Request More Details | 3-(carboxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-(2-phenylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments