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KEYORGANICS-ZINC01393821

 MMsINC code: MMs02101689
Type: Neutral
Formula: C16H12ClNO2
SMILES:   Clc1ccc(cc1)-c1noc(c1)COc1ccccc1
InChI:   InChI=1/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-10-15(20-18-16)11-19-14-4-2-1-3-5-14/h1-10H,11H2

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Potential Energy
Epot(MMFF94)=72.9724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.73 g/mol  logS: -5.1319  SlogP: 4.8404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486621  Sterimol/B1: 3.41547  Sterimol/B2: 3.44743  Sterimol/B3: 3.72348
  Sterimol/B4: 4.36239  Sterimol/L: 18.5168 
 
 Surface and Volume Properties
  Accessible surface: 532.102  Positive charged surface: 233.672  Negative charged surface: 298.429  Volume: 263.5
  Hydrophobic surface: 489.417  Hydrophilic surface: 42.685
 
 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.