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ENAMINE-ZINC03177039

 MMsINC code: MMs01296157
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-/m1/s1

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Potential Energy
Epot(MMFF94)=57.3807 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: 0.095418  Sterimol/B1: 2.57938  Sterimol/B2: 2.5935  Sterimol/B3: 4.75827
  Sterimol/B4: 4.96672  Sterimol/L: 14.8656 
 
 Surface and Volume Properties
  Accessible surface: 467.817  Positive charged surface: 244.878  Negative charged surface: 222.939  Volume: 237.375
  Hydrophobic surface: 398.784  Hydrophilic surface: 69.033
 
 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.