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PUBCHEM-ZINC03165275

 MMsINC code: MMs03004096
Type: Neutral
Formula: C8H11O2P
SMILES:   P(=O)(C)(C)c1ccc(O)cc1
InChI:   InChI=1/C8H11O2P/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6,9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.148 g/mol  logS: -0.56417  SlogP: 0.57  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141673  Sterimol/B1: 2.37525  Sterimol/B2: 2.62921  Sterimol/B3: 4.167
  Sterimol/B4: 4.82654  Sterimol/L: 11.0094 
 
 Surface and Volume Properties
  Accessible surface: 363.829  Positive charged surface: 206.896  Negative charged surface: 156.934  Volume: 163.875
  Hydrophobic surface: 239.317  Hydrophilic surface: 124.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.