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NCID-ZINC05741952

 MMsINC code: MMs02493129
Type: Neutral
Formula: C12H21NO6
SMILES:   O1C(OC2C3OC(OC3COC12CNO)(C)C)(C)C
InChI:   InChI=1/C12H21NO6/c1-10(2)16-7-5-15-12(6-13-14)9(8(7)17-10)18-11(3,4)19-12/h7-9,13-14H,5-6H2,1-4H3/t7-,8-,9-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=102.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.301 g/mol  logS: -1.72173  SlogP: 0.3633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169905  Sterimol/B1: 2.25234  Sterimol/B2: 4.48756  Sterimol/B3: 4.69844
  Sterimol/B4: 4.91599  Sterimol/L: 13.4129 
 
 Surface and Volume Properties
  Accessible surface: 468.165  Positive charged surface: 335.166  Negative charged surface: 132.999  Volume: 249.875
  Hydrophobic surface: 274.131  Hydrophilic surface: 194.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.