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NCID-ZINC01613608

 MMsINC code: MMs02263704
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+/m0/s1

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Potential Energy
Epot(MMFF94)=114.339 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: 0.199789  Sterimol/B1: 2.37059  Sterimol/B2: 3.61537  Sterimol/B3: 6.02397
  Sterimol/B4: 6.05809  Sterimol/L: 12.399 
 
 Surface and Volume Properties
  Accessible surface: 469.699  Positive charged surface: 324.523  Negative charged surface: 145.176  Volume: 249.625
  Hydrophobic surface: 270.51  Hydrophilic surface: 199.189
 
 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.