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ACROSORGANICS-ZINC00391839

 MMsINC code: MMs00007318
Type: Neutral
Formula: C6H10O3
SMILES:   O(C(=O)CC(=O)CC)C
InChI:   InChI=1/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=15.4288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.143 g/mol  logS: -0.42111  SlogP: 0.5286  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0421609  Sterimol/B1: 2.37511  Sterimol/B2: 2.37572  Sterimol/B3: 2.3976
  Sterimol/B4: 3.57115  Sterimol/L: 12.1235 
 
 Surface and Volume Properties
  Accessible surface: 324.745  Positive charged surface: 244.415  Negative charged surface: 80.3302  Volume: 127.75
  Hydrophobic surface: 234.781  Hydrophilic surface: 89.964
 
 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.