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CHEMDIV-ZINC03908276

 MMsINC code: MMs00920085
Type: Neutral
Formula: C15H10ClN3O2
SMILES:   Clc1cc(ccc1)-c1onc(c1)C(=O)Nc1cccnc1
InChI:   InChI=1/C15H10ClN3O2/c16-11-4-1-3-10(7-11)14-8-13(19-21-14)15(20)18-12-5-2-6-17-9-12/h1-9H,(H,18,20)

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Potential Energy
Epot(MMFF94)=87.2873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.717 g/mol  logS: -4.02547  SlogP: 3.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00668891  Sterimol/B1: 2.46456  Sterimol/B2: 2.70883  Sterimol/B3: 2.80652
  Sterimol/B4: 5.999  Sterimol/L: 17.7502 
 
 Surface and Volume Properties
  Accessible surface: 517.055  Positive charged surface: 264.885  Negative charged surface: 252.17  Volume: 263.375
  Hydrophobic surface: 426.816  Hydrophilic surface: 90.239
 
 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.