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NCID-ZINC05600869

 MMsINC code: MMs02479189
Type: Neutral
Formula: C11H14O6
SMILES:   O1C(CC(=C)C1=O)C1OCOC2C1OCOC2
InChI:   InChI=1/C11H14O6/c1-6-2-7(17-11(6)12)9-10-8(14-5-16-9)3-13-4-15-10/h7-10H,1-5H2/t7-,8+,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=51.9236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.227 g/mol  logS: -0.81453  SlogP: -0.0275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115163  Sterimol/B1: 2.95677  Sterimol/B2: 3.81705  Sterimol/B3: 4.05679
  Sterimol/B4: 4.74493  Sterimol/L: 12.8366 
 
 Surface and Volume Properties
  Accessible surface: 428.344  Positive charged surface: 309.572  Negative charged surface: 118.772  Volume: 212.625
  Hydrophobic surface: 253.357  Hydrophilic surface: 174.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.