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CHEMDIV-ZINC06842506

 MMsINC code: MMs01046527
Type: Neutral
Formula: C17H17ClN2O4
SMILES:   Clc1cc(NC(=O)N2CCOc3c2cccc3)c(OC)cc1OC
InChI:   InChI=1/C17H17ClN2O4/c1-22-15-10-16(23-2)12(9-11(15)18)19-17(21)20-7-8-24-14-6-4-3-5-13(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=119.858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.786 g/mol  logS: -4.18033  SlogP: 3.7881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288455  Sterimol/B1: 2.33565  Sterimol/B2: 2.52287  Sterimol/B3: 4.13002
  Sterimol/B4: 8.35921  Sterimol/L: 16.7814 
 
 Surface and Volume Properties
  Accessible surface: 575.7  Positive charged surface: 392.712  Negative charged surface: 182.988  Volume: 308.375
  Hydrophobic surface: 531.221  Hydrophilic surface: 44.479
 
 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.