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ASINEX-ZINC00202570

 MMsINC code: MMs00091488
Type: Neutral
Formula: C13H17ClN2O4
SMILES:   Clc1cc(NC(=O)N2CCOCC2)c(OC)cc1OC
InChI:   InChI=1/C13H17ClN2O4/c1-18-11-8-12(19-2)10(7-9(11)14)15-13(17)16-3-5-20-6-4-16/h7-8H,3-6H2,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=81.8165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.742 g/mol  logS: -2.44873  SlogP: 2.2213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337335  Sterimol/B1: 2.51568  Sterimol/B2: 3.04143  Sterimol/B3: 3.51034
  Sterimol/B4: 8.64872  Sterimol/L: 15.5658 
 
 Surface and Volume Properties
  Accessible surface: 521.569  Positive charged surface: 397.959  Negative charged surface: 123.61  Volume: 267.125
  Hydrophobic surface: 465.857  Hydrophilic surface: 55.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.