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IFLAB-ZINC00091379

 MMsINC code: MMs01973599
Type: Neutral
Formula: C11H9ClN2O2
SMILES:   Clc1ccc(cc1)-c1oc(cc1)C(=O)NN
InChI:   InChI=1/C11H9ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=65.057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.658 g/mol  logS: -4.49797  SlogP: 2.2035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00185108  Sterimol/B1: 2.13218  Sterimol/B2: 2.15014  Sterimol/B3: 3.05732
  Sterimol/B4: 5.71855  Sterimol/L: 14.8562 
 
 Surface and Volume Properties
  Accessible surface: 441.31  Positive charged surface: 214.374  Negative charged surface: 226.935  Volume: 208
  Hydrophobic surface: 300.706  Hydrophilic surface: 140.604
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.