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PEAKDALE-ZINC01743948

 MMsINC code: MMs02615615
Type: Neutral
Formula: C15H16ClN3O4
SMILES:   ClCCNC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChI:   InChI=1/C15H16ClN3O4/c1-21-12-9-13(22-2)19-15(18-12)23-11-6-4-3-5-10(11)14(20)17-8-7-16/h3-6,9H,7-8H2,1-2H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=45.976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.763 g/mol  logS: -4.30688  SlogP: 2.2547  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.268212  Sterimol/B1: 2.5255  Sterimol/B2: 4.56579  Sterimol/B3: 6.71185
  Sterimol/B4: 8.21157  Sterimol/L: 13.8905 
 
 Surface and Volume Properties
  Accessible surface: 583.839  Positive charged surface: 384.689  Negative charged surface: 199.151  Volume: 301.625
  Hydrophobic surface: 434.174  Hydrophilic surface: 149.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.