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ASINEX-ZINC01865245

 MMsINC code: MMs00259252
Type: Neutral
Formula: C8H8ClF3NO3P
SMILES:   Clc1ccc(OP(OCC(F)(F)F)(=O)N)cc1
InChI:   InChI=1/C8H8ClF3NO3P/c9-6-1-3-7(4-2-6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2,(H2,13,14)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=12.2133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.577 g/mol  logS: -3.21666  SlogP: 2.7142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466297  Sterimol/B1: 2.52742  Sterimol/B2: 2.54469  Sterimol/B3: 3.38696
  Sterimol/B4: 5.19849  Sterimol/L: 15.1546 
 
 Surface and Volume Properties
  Accessible surface: 451.332  Positive charged surface: 164.706  Negative charged surface: 286.626  Volume: 205.875
  Hydrophobic surface: 243.218  Hydrophilic surface: 208.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.