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CHEMBRIDGE-ZINC02837447

 MMsINC code: MMs00723220
Type: Neutral
Formula: C9H5ClF6N2O
SMILES:   Clc1ccc(nc1)NC(=O)C(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C9H5ClF6N2O/c10-4-1-2-5(17-3-4)18-7(19)6(8(11,12)13)9(14,15)16/h1-3,6H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=-0.720811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.593 g/mol  logS: -3.29684  SlogP: 4.2541  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.05245  Sterimol/B1: 2.80953  Sterimol/B2: 2.9031  Sterimol/B3: 3.49714
  Sterimol/B4: 4.78241  Sterimol/L: 13.756 
 
 Surface and Volume Properties
  Accessible surface: 426.146  Positive charged surface: 136.237  Negative charged surface: 289.908  Volume: 202.125
  Hydrophobic surface: 208.675  Hydrophilic surface: 217.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.