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PUBCHEM-ZINC00096741

 MMsINC code: MMs02632516
Type: Neutral
Formula: C13H11ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C13H11ClN2O3/c1-18-10-7-11(19-2)16-13(15-10)12(17)8-3-5-9(14)6-4-8/h3-7H,1-2H3

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Potential Energy
Epot(MMFF94)=57.5782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.695 g/mol  logS: -3.64994  SlogP: 2.3782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250362  Sterimol/B1: 2.36232  Sterimol/B2: 2.55394  Sterimol/B3: 2.9818
  Sterimol/B4: 7.89593  Sterimol/L: 15.2859 
 
 Surface and Volume Properties
  Accessible surface: 480.114  Positive charged surface: 285.42  Negative charged surface: 194.694  Volume: 244.125
  Hydrophobic surface: 388.956  Hydrophilic surface: 91.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.