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NCID-ZINC05664917

 MMsINC code: MMs02485461
Type: Neutral
Formula: C9H16O5
SMILES:   O1C(C2OC(OCC2OC1C)C)CO
InChI:   InChI=1/C9H16O5/c1-5-11-4-8-9(14-5)7(3-10)12-6(2)13-8/h5-10H,3-4H2,1-2H3/t5-,6+,7+,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=120.016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.222 g/mol  logS: -0.67212  SlogP: -0.1299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185213  Sterimol/B1: 3.12309  Sterimol/B2: 3.21642  Sterimol/B3: 4.31217
  Sterimol/B4: 4.71071  Sterimol/L: 11.6489 
 
 Surface and Volume Properties
  Accessible surface: 379.671  Positive charged surface: 288.597  Negative charged surface: 91.0736  Volume: 183.625
  Hydrophobic surface: 242.937  Hydrophilic surface: 136.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.