(3S,3aS,6aR)-3,5-bis(4-methoxyphenyl)-3a-methyl-2-phenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Formula:C26H24N2O5 Mutagenic:low Tumorigenic:low Reproductive Effective:none (3S,3aS,6aR)-3,5-bis(4-methoxyphenyl)-3a-methyl-2-phenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is a drug-like molecule.

MolName	(3S,3aS,6aR)-3,5-bis(4-methoxyphenyl)-3a-methyl-2-phenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
MolecularFormula	C26H24N2O5
Smiles	C[C@@]1([C@H](c(cc2)ccc2OC)N(c2ccccc2)O[C@H]1C(N1c(cc2)ccc2OC)=O)C1=O
InChI	InChI=1S/C26H24N2O5/c1-26-22(17-9-13-20(31-2)14-10-17)28(19-7-5-4-6-8-19)33-23(26)24(29)27(25(26)30)18-11-15-21(32-3)16-12-18/h4-16,22-23H,1-3H3/t22-,23+,26-/m0/s1
InChIK	ACHWGWKDDQUFBY-ZEVJAHDQSA-N
TotalMolweight	444.486
Molweight	444.486
MonoisotopicMass	444.168523
CLogP	3.3594
CLogS	-4.205
H Acceptors	7
TotalSurfaceArea	324.07
Relative PSA	0.19496
PolarSurfaceArea	68.31
Druglikeness	3.4636
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amides	1
StereoCon	this enantiomer

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1 - (3S,3aS,6aR)-3,5-bis(4-methoxyphenyl)-3a-methyl-2-phenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione | 2 - (3S,3aS,6aR)-3,5-bis(4-methoxyphenyl)-3a-methyl-2-phenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

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