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CHEMBRIDGE-ZINC01134935

 MMsINC code: MMs00668248
Type: Neutral
Formula: C19H18ClN3O3
SMILES:   Clc1cn(nc1)Cc1ccc(cc1)C(=O)Nc1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H18ClN3O3/c1-25-17-8-7-16(9-18(17)26-2)22-19(24)14-5-3-13(4-6-14)11-23-12-15(20)10-21-23/h3-10,12H,11H2,1-2H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=113.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.824 g/mol  logS: -4.28787  SlogP: 4.1207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385927  Sterimol/B1: 2.62915  Sterimol/B2: 3.85386  Sterimol/B3: 4.13705
  Sterimol/B4: 7.29949  Sterimol/L: 20.1563 
 
 Surface and Volume Properties
  Accessible surface: 644.046  Positive charged surface: 413.961  Negative charged surface: 230.085  Volume: 341.875
  Hydrophobic surface: 554.022  Hydrophilic surface: 90.024
 
 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.