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IBS-ZINC01263264

 MMsINC code: MMs01765000
Type: Neutral
Formula: C14H15FNO2P
SMILES:   P(Oc1ccccc1)(=O)(Nc1cc(ccc1F)C)C
InChI:   InChI=1/C14H15FNO2P/c1-11-8-9-13(15)14(10-11)16-19(2,17)18-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,16,17)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=60.0679 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: 0.090956  Sterimol/B1: 1.969  Sterimol/B2: 3.7061  Sterimol/B3: 3.85704
  Sterimol/B4: 7.0821  Sterimol/L: 14.8434 
 
 Surface and Volume Properties
  Accessible surface: 494.122  Positive charged surface: 268.988  Negative charged surface: 225.133  Volume: 256.375
  Hydrophobic surface: 426.243  Hydrophilic surface: 67.879
 
 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.