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NCID-ZINC01683739

 MMsINC code: MMs02317309
Type: Neutral
Formula: C7H10O6
SMILES:   O1CC(O)C2OC(=O)C(O)C12OC
InChI:   InChI=1/C7H10O6/c1-11-7-4(9)6(10)13-5(7)3(8)2-12-7/h3-5,8-9H,2H2,1H3/t3-,4+,5-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=70.0199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.151 g/mol  logS: -0.23255  SlogP: -1.9935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206241  Sterimol/B1: 2.11922  Sterimol/B2: 3.23629  Sterimol/B3: 3.43322
  Sterimol/B4: 6.52287  Sterimol/L: 9.6501 
 
 Surface and Volume Properties
  Accessible surface: 349.176  Positive charged surface: 260.07  Negative charged surface: 89.1058  Volume: 155.75
  Hydrophobic surface: 180.727  Hydrophilic surface: 168.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.