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ENAMINE-ZINC03177046

 MMsINC code: MMs01296161
Type: Neutral
Formula: C14H15FNO2P
SMILES:   P(Oc1ccccc1F)(=O)(Nc1ccc(cc1)C)C
InChI:   InChI=1/C14H15FNO2P/c1-11-7-9-12(10-8-11)16-19(2,17)18-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17)/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=65.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.251 g/mol  logS: -3.34895  SlogP: 3.37772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627752  Sterimol/B1: 2.64679  Sterimol/B2: 2.83162  Sterimol/B3: 4.04238
  Sterimol/B4: 4.63215  Sterimol/L: 15.9548 
 
 Surface and Volume Properties
  Accessible surface: 498.944  Positive charged surface: 263.483  Negative charged surface: 235.461  Volume: 255.125
  Hydrophobic surface: 425.993  Hydrophilic surface: 72.951
 
 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.