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APOLLO-ZINC00160681

 MMsINC code: MMs00045902
Type: Neutral
Formula: C10H16O5
SMILES:   OC1C(CCCC1C(OC)=O)C(OC)=O
InChI:   InChI=1/C10H16O5/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h6-8,11H,3-5H2,1-2H3/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=28.2265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.7849  SlogP: 0.1096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178956  Sterimol/B1: 2.21563  Sterimol/B2: 3.51394  Sterimol/B3: 3.71036
  Sterimol/B4: 5.9123  Sterimol/L: 12.9188 
 
 Surface and Volume Properties
  Accessible surface: 418.524  Positive charged surface: 337.784  Negative charged surface: 80.7401  Volume: 202.875
  Hydrophobic surface: 328.762  Hydrophilic surface: 89.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.