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ENAMINE-ZINC03311692

 MMsINC code: MMs01364321
Type: Neutral
Formula: C18H19Cl2NO5
SMILES:   Clc1ccc(Cl)nc1Oc1ccc(OC(C(OCCOCC)=O)C)cc1
InChI:   InChI=1/C18H19Cl2NO5/c1-3-23-10-11-24-18(22)12(2)25-13-4-6-14(7-5-13)26-17-15(19)8-9-16(20)21-17/h4-9,12H,3,10-11H2,1-2H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=95.7402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.258 g/mol  logS: -5.25616  SlogP: 4.5277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628191  Sterimol/B1: 2.17931  Sterimol/B2: 4.02579  Sterimol/B3: 5.84062
  Sterimol/B4: 7.49591  Sterimol/L: 19.5095 
 
 Surface and Volume Properties
  Accessible surface: 706.047  Positive charged surface: 394.876  Negative charged surface: 311.171  Volume: 352.5
  Hydrophobic surface: 600.888  Hydrophilic surface: 105.159
 
 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.