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(3aR,5aR,8R,9S,9aS,9bS)-8,9-dihydroxy-2-[[(2S)-oxolan-2-yl]methyl]-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

Formula:C17H23NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3aR,5aR,8R,9S,9aS,9bS)-8,9-dihydroxy-2-[[(2S)-oxolan-2-yl]methyl]-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione is a drug-like molecule.
MolName(3aR,5aR,8R,9S,9aS,9bS)-8,9-dihydroxy-2-[[(2S)-oxolan-2-yl]methyl]-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione
MolecularFormulaC17H23NO6
SmilesO[C@H](CC([C@H](CC[C@H]1C(N2C[C@H]3OCCC3)=O)[C@H]3[C@@H]1C2=O)=O)[C@H]3O
InChIInChI=1S/C17H23NO6/c19-11-6-12(20)15(21)13-9(11)3-4-10-14(13)17(23)18(16(10)22)7-8-2-1-5-24-8/h8-10,12-15,20-21H,1-7H2/t8-,9-,10-,12-,13-,14+,15-/m0/s1
InChIKWQEPDKPELISSRA-XPYCTDNKSA-N
TotalMolweight337.371
Molweight337.371
MonoisotopicMass337.152539
CLogP-0.731
CLogS-1.888
H Acceptors7
H Donors2
TotalSurfaceArea229.57
Relative PSA0.34356
PolarSurfaceArea104.14
Druglikeness3.3324
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.45833
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
StereoCenters7
Rotatable Bond2
Rings Closures4
Small Rings4
Sp3Atoms17
Amides1
StereoConthis enantiomer

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