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CHEMBRIDGE-ZINC01145253

 MMsINC code: MMs00671208
Type: Neutral
Formula: C18H17Cl3N2O2
SMILES:   Clc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1N1CCCC1
InChI:   InChI=1/C18H17Cl3N2O2/c19-12-3-6-17(15(21)9-12)25-11-18(24)22-13-4-5-16(14(20)10-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=153.644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.705 g/mol  logS: -6.11435  SlogP: 5.2645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256631  Sterimol/B1: 2.85255  Sterimol/B2: 3.97995  Sterimol/B3: 5.17089
  Sterimol/B4: 5.21375  Sterimol/L: 20.5391 
 
 Surface and Volume Properties
  Accessible surface: 643.841  Positive charged surface: 323.864  Negative charged surface: 319.977  Volume: 343.5
  Hydrophobic surface: 579.698  Hydrophilic surface: 64.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.