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ACROSORGANICS-ZINC01648272

 MMsINC code: MMs00010215
Type: Neutral
Formula: C6H10O4
SMILES:   O(C(=O)C)CCOC(=O)C
InChI:   InChI=1/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: -0.4216  SlogP: 0.1126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640807  Sterimol/B1: 2.41217  Sterimol/B2: 2.62447  Sterimol/B3: 3.10932
  Sterimol/B4: 4.87427  Sterimol/L: 11.887 
 
 Surface and Volume Properties
  Accessible surface: 358.5  Positive charged surface: 239.309  Negative charged surface: 119.191  Volume: 140.125
  Hydrophobic surface: 264.139  Hydrophilic surface: 94.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.