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NCID-ZINC01578214

 MMsINC code: MMs02236316
Type: Neutral
Formula: C5HCl2F3N2
SMILES:   Clc1nc(Cl)nc(c1)C(F)(F)F
InChI:   InChI=1/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H

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Potential Energy
Epot(MMFF94)=22.1561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.977 g/mol  logS: -3.87879  SlogP: 3.1137  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0592108  Sterimol/B1: 2.15584  Sterimol/B2: 2.81598  Sterimol/B3: 3.49519
  Sterimol/B4: 5.87884  Sterimol/L: 8.51104 
 
 Surface and Volume Properties
  Accessible surface: 330.771  Positive charged surface: 45.8886  Negative charged surface: 284.882  Volume: 136.75
  Hydrophobic surface: 182.234  Hydrophilic surface: 148.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.