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CHEMDIV-ZINC03907773

 MMsINC code: MMs00919833
Type: Neutral
Formula: C16H11ClN2O3
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2ccc(O)cc2)ccc1
InChI:   InChI=1/C16H11ClN2O3/c17-11-2-1-3-12(8-11)18-16(21)14-9-15(22-19-14)10-4-6-13(20)7-5-10/h1-9,20H,(H,18,21)

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Potential Energy
Epot(MMFF94)=81.6394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.728 g/mol  logS: -4.92166  SlogP: 3.9529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00895752  Sterimol/B1: 2.097  Sterimol/B2: 2.90482  Sterimol/B3: 3.38559
  Sterimol/B4: 5.80605  Sterimol/L: 18.3308 
 
 Surface and Volume Properties
  Accessible surface: 536.687  Positive charged surface: 250.966  Negative charged surface: 285.721  Volume: 273.625
  Hydrophobic surface: 409.79  Hydrophilic surface: 126.897
 
 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.