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ASINEX-ZINC00369260

 MMsINC code: MMs00125328
Type: Neutral
Formula: C13H11ClN2O2
SMILES:   Clc1ncccc1C(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C13H11ClN2O2/c1-18-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=80.2327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.696 g/mol  logS: -3.19266  SlogP: 2.9959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176584  Sterimol/B1: 2.5088  Sterimol/B2: 3.27256  Sterimol/B3: 4.23275
  Sterimol/B4: 4.91912  Sterimol/L: 16.1702 
 
 Surface and Volume Properties
  Accessible surface: 469.285  Positive charged surface: 277.51  Negative charged surface: 191.775  Volume: 233.625
  Hydrophobic surface: 407.114  Hydrophilic surface: 62.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.