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CHEMBRIDGE-ZINC02893379

 MMsINC code: MMs00737182
Type: Neutral
Formula: C15H13Cl2NO3
SMILES:   Clc1ccccc1OCCOC(=O)Nc1cc(Cl)ccc1
InChI:   InChI=1/C15H13Cl2NO3/c16-11-4-3-5-12(10-11)18-15(19)21-9-8-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=60.5964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.179 g/mol  logS: -4.97709  SlogP: 4.6209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514249  Sterimol/B1: 3.15482  Sterimol/B2: 3.75776  Sterimol/B3: 4.22589
  Sterimol/B4: 5.10809  Sterimol/L: 18.0861 
 
 Surface and Volume Properties
  Accessible surface: 574.788  Positive charged surface: 280.82  Negative charged surface: 293.968  Volume: 281.75
  Hydrophobic surface: 515.168  Hydrophilic surface: 59.62
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.