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CHEMBRIDGE-ZINC04471385

 MMsINC code: MMs00769735
Type: Neutral
Formula: C17H15ClN4O2
SMILES:   ClC=1C=Cc2n(C=1)c(C(=O)N\N=C/c1ccccc1OC)c(n2)C
InChI:   InChI=1/C17H15ClN4O2/c1-11-16(22-10-13(18)7-8-15(22)20-11)17(23)21-19-9-12-5-3-4-6-14(12)24-2/h3-10H,1-2H3,(H,21,23)/b19-9-

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Potential Energy
Epot(MMFF94)=135.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.786 g/mol  logS: -4.11651  SlogP: 3.13692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482117  Sterimol/B1: 2.44819  Sterimol/B2: 3.08678  Sterimol/B3: 3.54123
  Sterimol/B4: 8.10174  Sterimol/L: 14.8449 
 
 Surface and Volume Properties
  Accessible surface: 534.771  Positive charged surface: 315.357  Negative charged surface: 219.414  Volume: 305.125
  Hydrophobic surface: 434.742  Hydrophilic surface: 100.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.