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ACROSORGANICS-ZINC01631223

 MMsINC code: MMs00009981
Type: Neutral
Formula: C6H15O3P
SMILES:   [PH](OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.22572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -1.53155  SlogP: 1.1559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751477  Sterimol/B1: 2.41279  Sterimol/B2: 3.08963  Sterimol/B3: 3.30371
  Sterimol/B4: 4.83191  Sterimol/L: 11.8905 
 
 Surface and Volume Properties
  Accessible surface: 389.985  Positive charged surface: 243.083  Negative charged surface: 146.902  Volume: 164.625
  Hydrophobic surface: 256.651  Hydrophilic surface: 133.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.