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CHEMDIV-ZINC03908265

 MMsINC code: MMs00920074
Type: Neutral
Formula: C17H13ClN2O3
SMILES:   Clc1cc(ccc1)-c1onc(c1)C(=O)Nc1cc(ccc1O)C
InChI:   InChI=1/C17H13ClN2O3/c1-10-5-6-15(21)13(7-10)19-17(22)14-9-16(23-20-14)11-3-2-4-12(18)8-11/h2-9,21H,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=89.4873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.755 g/mol  logS: -5.39558  SlogP: 4.26132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133471  Sterimol/B1: 2.52024  Sterimol/B2: 2.75454  Sterimol/B3: 3.41657
  Sterimol/B4: 7.06941  Sterimol/L: 17.7591 
 
 Surface and Volume Properties
  Accessible surface: 565.515  Positive charged surface: 278.215  Negative charged surface: 287.3  Volume: 290.125
  Hydrophobic surface: 446.97  Hydrophilic surface: 118.545
 
 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.