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PUBCHEM-ZINC05861769

 MMsINC code: MMs03422195
Type: Neutral
Formula: C8H11O4P
SMILES:   P(Oc1ccccc1)(OCC)(O)=O
InChI:   InChI=1/C8H11O4P/c1-2-11-13(9,10)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.3318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.146 g/mol  logS: -1.55005  SlogP: 1.1321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395275  Sterimol/B1: 2.38363  Sterimol/B2: 3.38057  Sterimol/B3: 3.53653
  Sterimol/B4: 3.74816  Sterimol/L: 13.793 
 
 Surface and Volume Properties
  Accessible surface: 398.417  Positive charged surface: 232.771  Negative charged surface: 165.646  Volume: 177.625
  Hydrophobic surface: 286.497  Hydrophilic surface: 111.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.