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ASINEX-ZINC01344425

 MMsINC code: MMs00241172
Type: Neutral
Formula: C18H16ClN5O2
SMILES:   Clc1cc(ccc1NC(=O)C)-c1nn(nn1)CC(=O)c1ccc(cc1)C
InChI:   InChI=1/C18H16ClN5O2/c1-11-3-5-13(6-4-11)17(26)10-24-22-18(21-23-24)14-7-8-16(15(19)9-14)20-12(2)25/h3-9H,10H2,1-2H3,(H,20,25)

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Potential Energy
Epot(MMFF94)=89.2425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.812 g/mol  logS: -5.43204  SlogP: 3.40962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303577  Sterimol/B1: 3.55337  Sterimol/B2: 3.73776  Sterimol/B3: 3.74273
  Sterimol/B4: 5.44983  Sterimol/L: 21.4463 
 
 Surface and Volume Properties
  Accessible surface: 638.973  Positive charged surface: 316.819  Negative charged surface: 322.155  Volume: 331.25
  Hydrophobic surface: 500.347  Hydrophilic surface: 138.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.