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CHEMBRIDGE-ZINC02876723

 MMsINC code: MMs00732135
Type: Neutral
Formula: C20H13ClN4O2
SMILES:   Clc1ccc(cc1)-c1nc(on1)-c1ccccc1C(=O)Nc1cccnc1
InChI:   InChI=1/C20H13ClN4O2/c21-14-9-7-13(8-10-14)18-24-20(27-25-18)17-6-2-1-5-16(17)19(26)23-15-4-3-11-22-12-15/h1-12H,(H,23,26)

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Potential Energy
Epot(MMFF94)=127.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.803 g/mol  logS: -7.48371  SlogP: 4.7043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397467  Sterimol/B1: 2.54568  Sterimol/B2: 3.33851  Sterimol/B3: 3.42899
  Sterimol/B4: 11.1386  Sterimol/L: 17.0161 
 
 Surface and Volume Properties
  Accessible surface: 615.288  Positive charged surface: 322.932  Negative charged surface: 292.356  Volume: 332.5
  Hydrophobic surface: 538.595  Hydrophilic surface: 76.693
 
 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.