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ENAMINE-ZINC03450820

 MMsINC code: MMs01450408
Type: Neutral
Formula: C17H13Cl3N2O5
SMILES:   Clc1cc(Cl)c(Cl)cc1OCC(=O)NC(=O)Nc1cc2OCCOc2cc1
InChI:   InChI=1/C17H13Cl3N2O5/c18-10-6-12(20)14(7-11(10)19)27-8-16(23)22-17(24)21-9-1-2-13-15(5-9)26-4-3-25-13/h1-2,5-7H,3-4,8H2,(H2,21,22,23,24)

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Potential Energy
Epot(MMFF94)=95.0362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.659 g/mol  logS: -6.11269  SlogP: 4.1451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0124469  Sterimol/B1: 2.097  Sterimol/B2: 4.07951  Sterimol/B3: 4.08082
  Sterimol/B4: 5.80127  Sterimol/L: 22.0469 
 
 Surface and Volume Properties
  Accessible surface: 651.534  Positive charged surface: 326.81  Negative charged surface: 324.723  Volume: 341
  Hydrophobic surface: 529.865  Hydrophilic surface: 121.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.