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PHARMEK-ZINC01862957

 MMsINC code: MMs02623351
Type: Neutral
Formula: C7H8FO3P
SMILES:   P(Oc1ccc(F)cc1)(O)(=O)C
InChI:   InChI=1/C7H8FO3P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.9926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.11 g/mol  logS: -1.26326  SlogP: 0.9495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549901  Sterimol/B1: 2.47005  Sterimol/B2: 3.34128  Sterimol/B3: 3.40375
  Sterimol/B4: 3.91631  Sterimol/L: 11.6782 
 
 Surface and Volume Properties
  Accessible surface: 354.92  Positive charged surface: 175.768  Negative charged surface: 179.152  Volume: 156.125
  Hydrophobic surface: 251.628  Hydrophilic surface: 103.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.