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PUBCHEM-ZINC05018938

 MMsINC code: MMs03189942
Type: Neutral
Formula: C5H11O3P
SMILES:   [PH]1(OCC(CO1)(C)C)=O
InChI:   InChI=1/C5H11O3P/c1-5(2)3-7-9(6)8-4-5/h9H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.1091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.114 g/mol  logS: -0.97686  SlogP: 0.3789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.390433  Sterimol/B1: 1.969  Sterimol/B2: 3.62474  Sterimol/B3: 3.62757
  Sterimol/B4: 4.66594  Sterimol/L: 9.27236 
 
 Surface and Volume Properties
  Accessible surface: 303.954  Positive charged surface: 178.575  Negative charged surface: 125.379  Volume: 132.75
  Hydrophobic surface: 193.739  Hydrophilic surface: 110.215
 
 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.