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CHEMSTAR-ZINC03177101

 MMsINC code: MMs01085288
Type: Neutral
Formula: C7H9FNO2P
SMILES:   P(Oc1ccccc1F)(=O)(N)C
InChI:   InChI=1/C7H9FNO2P/c1-12(9,10)11-7-5-3-2-4-6(7)8/h2-5H,1H3,(H2,9,10)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=11.4701 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: 0.136584  Sterimol/B1: 2.30455  Sterimol/B2: 2.42996  Sterimol/B3: 4.01279
  Sterimol/B4: 4.87466  Sterimol/L: 11.063 
 
 Surface and Volume Properties
  Accessible surface: 356.781  Positive charged surface: 192.601  Negative charged surface: 164.18  Volume: 159.375
  Hydrophobic surface: 232.942  Hydrophilic surface: 123.839
 
 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.