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APOLLO-ZINC00160677

 MMsINC code: MMs00045900
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+,8+

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Potential Energy
Epot(MMFF94)=23.8629 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: 0.0578808  Sterimol/B1: 2.71964  Sterimol/B2: 2.79144  Sterimol/B3: 3.1162
  Sterimol/B4: 5.71111  Sterimol/L: 14.4905 
 
 Surface and Volume Properties
  Accessible surface: 427.033  Positive charged surface: 347.391  Negative charged surface: 79.6424  Volume: 200.75
  Hydrophobic surface: 336.573  Hydrophilic surface: 90.46
 
 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.