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

Formula:C28H30N2O5 Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-cyclohexyl-3-(hydroxymethyl)-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	5-cyclohexyl-3-(hydroxymethyl)-4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C28H30N2O5
Smiles	OCC(C(C1C(N2C3CCCCC3)=O)C2=O)(C(O)=O)NC1c1ccc(/C=C/c2ccccc2)cc1
InChI	InChI=1S/C28H30N2O5/c31-17-28(27(34)35)23-22(25(32)30(26(23)33)21-9-5-2-6-10-21)24(29-28)20-15-13-19(14-16-20)12-11-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,21-24,29,31H,2,5-6,9-10,17H2,(H,34,35)
InChIK	UCAPPIPIGSRNLH-UHFFFAOYSA-N
TotalMolweight	474.555
Molweight	474.555
MonoisotopicMass	474.215473
CLogP	0.4381
CLogS	-4.367
H Acceptors	7
H Donors	3
TotalSurfaceArea	349.7
Relative PSA	0.22971
PolarSurfaceArea	106.94
Druglikeness	-1.7064
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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