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NCID-ZINC04353267

 MMsINC code: MMs02383661
Type: Neutral
Formula: C12H18O8
SMILES:   O1COC2C(OCOC2COC(=O)C)C1COC(=O)C
InChI:   InChI=1/C12H18O8/c1-7(13)15-3-9-11-12(20-5-17-9)10(18-6-19-11)4-16-8(2)14/h9-12H,3-6H2,1-2H3/t9-,10+,11+,12-

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Potential Energy
Epot(MMFF94)=61.0424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.268 g/mol  logS: -0.70084  SlogP: -0.4044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540547  Sterimol/B1: 3.46724  Sterimol/B2: 3.59674  Sterimol/B3: 4.68245
  Sterimol/B4: 4.82209  Sterimol/L: 17.0756 
 
 Surface and Volume Properties
  Accessible surface: 507.644  Positive charged surface: 353.583  Negative charged surface: 154.061  Volume: 251.5
  Hydrophobic surface: 333.982  Hydrophilic surface: 173.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.