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

Formula:C30H28N2O5 Mutagenic:low Tumorigenic:low Reproductive Effective:high 3-benzyl-5-(2-hydroxyethyl)-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-benzyl-5-(2-hydroxyethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C30H28N2O5
Smiles	OCCN(C(C(C12)C(c3ccc(/C=C/c4ccccc4)cc3)NC2(Cc2ccccc2)C(O)=O)=O)C1=O
InChI	InChI=1S/C30H28N2O5/c33-18-17-32-27(34)24-25(28(32)35)30(29(36)37,19-22-9-5-2-6-10-22)31-26(24)23-15-13-21(14-16-23)12-11-20-7-3-1-4-8-20/h1-16,24-26,31,33H,17-19H2,(H,36,37)
InChIK	GWMGTLRGHOSWCR-UHFFFAOYSA-N
TotalMolweight	496.561
Molweight	496.561
MonoisotopicMass	496.199823
CLogP	0.7306
CLogS	-4.228
H Acceptors	7
H Donors	3
TotalSurfaceArea	369.18
Relative PSA	0.21759
PolarSurfaceArea	106.94
Druglikeness	3.7026
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	8
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	1
StereoCon	unknown chirality

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