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PUBCHEM-ZINC06159883

 MMsINC code: MMs03570980
Type: Neutral
Formula: C7H18O3P+
SMILES:   [P+](OC(C)C)(OC(C)C)(O)C
InChI:   InChI=1/C7H18O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-8H,1-5H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.4149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.192 g/mol  logS: -0.8487  SlogP: 2.2211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127225  Sterimol/B1: 2.63704  Sterimol/B2: 2.92237  Sterimol/B3: 3.97818
  Sterimol/B4: 4.77051  Sterimol/L: 12.0496 
 
 Surface and Volume Properties
  Accessible surface: 402.22  Positive charged surface: 270.204  Negative charged surface: 132.016  Volume: 185.25
  Hydrophobic surface: 246.459  Hydrophilic surface: 155.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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.