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ENAMINE-ZINC01751812

 MMsINC code: MMs01243941
Type: Neutral
Formula: C18H19Cl2NO5
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(OC(C(OCCOCC)=O)C)cc1
InChI:   InChI=1/C18H19Cl2NO5/c1-3-23-8-9-24-18(22)12(2)25-14-4-6-15(7-5-14)26-17-16(20)10-13(19)11-21-17/h4-7,10-12H,3,8-9H2,1-2H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=99.2345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.258 g/mol  logS: -4.9449  SlogP: 4.5277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613184  Sterimol/B1: 2.18806  Sterimol/B2: 4.02468  Sterimol/B3: 5.31871
  Sterimol/B4: 7.53754  Sterimol/L: 19.8625 
 
 Surface and Volume Properties
  Accessible surface: 704.365  Positive charged surface: 412.532  Negative charged surface: 291.833  Volume: 350.75
  Hydrophobic surface: 606.695  Hydrophilic surface: 97.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.