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ACROSORGANICS-ZINC00391966

 MMsINC code: MMs00007367
Type: Neutral
Formula: C6H15O3P
SMILES:   P(OCC)(OCC)OCC
InChI:   InChI=1/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.64028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -0.99705  SlogP: 2.3228  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0955933  Sterimol/B1: 2.1899  Sterimol/B2: 2.48962  Sterimol/B3: 3.44377
  Sterimol/B4: 8.18978  Sterimol/L: 11.8097 
 
 Surface and Volume Properties
  Accessible surface: 413.002  Positive charged surface: 321.071  Negative charged surface: 91.931  Volume: 168.875
  Hydrophobic surface: 304.703  Hydrophilic surface: 108.299
 
 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.