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

Formula:C29H26N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-benzyl-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	5-benzyl-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C29H26N2O5
Smiles	OC(C(Cc(cc1)ccc1O)(C(C1C(N2Cc3ccccc3)=O)C2=O)NC1/C=C/c1ccccc1)=O
InChI	InChI=1S/C29H26N2O5/c32-22-14-11-20(12-15-22)17-29(28(35)36)25-24(23(30-29)16-13-19-7-3-1-4-8-19)26(33)31(27(25)34)18-21-9-5-2-6-10-21/h1-16,23-25,30,32H,17-18H2,(H,35,36)/b16-13+
InChIK	JUBRJYGXIHVULK-DTQAZKPQSA-N
TotalMolweight	482.534
Molweight	482.534
MonoisotopicMass	482.184173
CLogP	0.6979
CLogS	-4.15
H Acceptors	7
H Donors	3
TotalSurfaceArea	355.42
Relative PSA	0.22601
PolarSurfaceArea	106.94
Druglikeness	3.5272
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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

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