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CHEMBRIDGE-ZINC02876124

 MMsINC code: MMs00731906
Type: Neutral
Formula: C18H16ClN3O3
SMILES:   Clc1ccc(cc1)-c1nc(on1)-c1ccccc1C(=O)NCCOC
InChI:   InChI=1/C18H16ClN3O3/c1-24-11-10-20-17(23)14-4-2-3-5-15(14)18-21-16(22-25-18)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=89.5973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.797 g/mol  logS: -7.06063  SlogP: 3.4332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020122  Sterimol/B1: 2.55023  Sterimol/B2: 3.21761  Sterimol/B3: 4.13839
  Sterimol/B4: 8.3166  Sterimol/L: 19.6221 
 
 Surface and Volume Properties
  Accessible surface: 629.98  Positive charged surface: 371.854  Negative charged surface: 258.126  Volume: 322.375
  Hydrophobic surface: 542.761  Hydrophilic surface: 87.219
 
 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.