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KEYORGANICS-ZINC01386452

 MMsINC code: MMs02096650
Type: Neutral
Formula: C16H10ClNO3
SMILES:   Clc1ccc(cc1)C(Oc1onc(c1)-c1ccccc1)=O
InChI:   InChI=1/C16H10ClNO3/c17-13-8-6-12(7-9-13)16(19)20-15-10-14(18-21-15)11-4-2-1-3-5-11/h1-10H

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Potential Energy
Epot(MMFF94)=86.0401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.713 g/mol  logS: -5.58602  SlogP: 4.2142  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.68759e-07  Sterimol/B1: 2.09776  Sterimol/B2: 2.10324  Sterimol/B3: 3.64137
  Sterimol/B4: 4.13177  Sterimol/L: 18.9391 
 
 Surface and Volume Properties
  Accessible surface: 532.345  Positive charged surface: 231.192  Negative charged surface: 301.153  Volume: 264.875
  Hydrophobic surface: 451.043  Hydrophilic surface: 81.302
 
 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.