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PUBCHEM-ZINC05360260

 MMsINC code: MMs03248353
Type: Neutral
Formula: C7H9FNO2P
SMILES:   P(Oc1ccc(F)cc1)(=O)(N)C
InChI:   InChI=1/C7H9FNO2P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3,(H2,9,10)/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.2093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.126 g/mol  logS: -1.4398  SlogP: 0.9159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09649  Sterimol/B1: 2.27594  Sterimol/B2: 2.53242  Sterimol/B3: 3.62148
  Sterimol/B4: 5.05346  Sterimol/L: 11.2426 
 
 Surface and Volume Properties
  Accessible surface: 353.948  Positive charged surface: 187.502  Negative charged surface: 166.446  Volume: 157.625
  Hydrophobic surface: 229.44  Hydrophilic surface: 124.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.