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NCID-ZINC04353268

 MMsINC code: MMs02383662
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+/m0/s1

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Potential Energy
Epot(MMFF94)=54.0872 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: 0.094766  Sterimol/B1: 3.19274  Sterimol/B2: 3.24104  Sterimol/B3: 4.97857
  Sterimol/B4: 5.56556  Sterimol/L: 16.5046 
 
 Surface and Volume Properties
  Accessible surface: 520.071  Positive charged surface: 370.771  Negative charged surface: 149.3  Volume: 252.75
  Hydrophobic surface: 346.878  Hydrophilic surface: 173.193
 
 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.