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PUBCHEM-ZINC05650781

 MMsINC code: MMs03337092
Type: Neutral
Formula: C4H11O4P
SMILES:   P(OCC)(OC)(OC)=O
InChI:   InChI=1/C4H11O4P/c1-4-8-9(5,6-2)7-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: -0.19315  SlogP: 0.3536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103456  Sterimol/B1: 2.29357  Sterimol/B2: 2.91423  Sterimol/B3: 3.89105
  Sterimol/B4: 4.94882  Sterimol/L: 10.8012 
 
 Surface and Volume Properties
  Accessible surface: 341.46  Positive charged surface: 260.363  Negative charged surface: 81.0969  Volume: 139
  Hydrophobic surface: 256.501  Hydrophilic surface: 84.959
 
 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.