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PUBCHEM-ZINC06344186

 MMsINC code: MMs03677801
Type: Neutral
Formula: C8H11O2P
SMILES:   [PH](O)(=O)CCc1ccccc1
InChI:   InChI=1/C8H11O2P/c9-11(10)7-6-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.58104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.148 g/mol  logS: -1.45234  SlogP: 0.62587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749834  Sterimol/B1: 2.70667  Sterimol/B2: 3.23111  Sterimol/B3: 3.61744
  Sterimol/B4: 3.61806  Sterimol/L: 12.4549 
 
 Surface and Volume Properties
  Accessible surface: 370.498  Positive charged surface: 187.124  Negative charged surface: 183.375  Volume: 161.75
  Hydrophobic surface: 274.011  Hydrophilic surface: 96.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.