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PUBCHEM-ZINC01852247

 MMsINC code: MMs02826279
Type: Neutral
Formula: C9H3Cl2F5N2
SMILES:   Clc1cc2nc([nH]c2cc1Cl)C(F)(F)C(F)(F)F
InChI:   InChI=1/C9H3Cl2F5N2/c10-3-1-5-6(2-4(3)11)18-7(17-5)8(12,13)9(14,15)16/h1-2H,(H,17,18)

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Potential Energy
Epot(MMFF94)=54.0748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.033 g/mol  logS: -4.86487  SlogP: 5.2552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316802  Sterimol/B1: 2.54984  Sterimol/B2: 2.63741  Sterimol/B3: 2.64007
  Sterimol/B4: 5.37883  Sterimol/L: 13.271 
 
 Surface and Volume Properties
  Accessible surface: 421.985  Positive charged surface: 92.9439  Negative charged surface: 329.041  Volume: 199.125
  Hydrophobic surface: 225.366  Hydrophilic surface: 196.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.