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ENAMINE-ZINC03177036

 MMsINC code: MMs01296156
Type: Neutral
Formula: C13H13FNO2P
SMILES:   P(Oc1ccccc1)(=O)(Nc1ccccc1F)C
InChI:   InChI=1/C13H13FNO2P/c1-18(16,17-11-7-3-2-4-8-11)15-13-10-6-5-9-12(13)14/h2-10H,1H3,(H,15,16)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=57.149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.224 g/mol  logS: -2.87503  SlogP: 3.0693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951349  Sterimol/B1: 2.55252  Sterimol/B2: 2.60959  Sterimol/B3: 4.74088
  Sterimol/B4: 4.97048  Sterimol/L: 14.8647 
 
 Surface and Volume Properties
  Accessible surface: 466.447  Positive charged surface: 248.315  Negative charged surface: 218.132  Volume: 237.5
  Hydrophobic surface: 400.335  Hydrophilic surface: 66.112
 
 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.