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APOLLO-ZINC00113481

 MMsINC code: MMs00042913
Type: Neutral
Formula: C8H8Cl2N2O2
SMILES:   Clc1cc(cc(Cl)c1OC)C(=O)NN
InChI:   InChI=1/C8H8Cl2N2O2/c1-14-7-5(9)2-4(3-6(7)10)8(13)12-11/h2-3H,11H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=72.3035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.07 g/mol  logS: -3.13589  SlogP: 1.6055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302593  Sterimol/B1: 2.10243  Sterimol/B2: 3.21059  Sterimol/B3: 4.37377
  Sterimol/B4: 5.05775  Sterimol/L: 13.0082 
 
 Surface and Volume Properties
  Accessible surface: 403.373  Positive charged surface: 197.077  Negative charged surface: 206.296  Volume: 189.625
  Hydrophobic surface: 264.369  Hydrophilic surface: 139.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.