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ACROSORGANICS-ZINC01600931

 MMsINC code: MMs00009791
Type: Neutral
Formula: C7H15O4P
SMILES:   P(OCC)(OCC)(=O)CC(=O)C
InChI:   InChI=1/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3

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Potential Energy
Epot(MMFF94)=-1.23293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: -0.60451  SlogP: 0.7713  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.180849  Sterimol/B1: 2.2832  Sterimol/B2: 2.49155  Sterimol/B3: 4.82698
  Sterimol/B4: 8.20282  Sterimol/L: 10.4619 
 
 Surface and Volume Properties
  Accessible surface: 419.839  Positive charged surface: 286.495  Negative charged surface: 133.345  Volume: 180.625
  Hydrophobic surface: 306.14  Hydrophilic surface: 113.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.