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CHEMDIV-ZINC07005057

 MMsINC code: MMs01070589
Type: Neutral
Formula: C18H17ClN2O4S
SMILES:   Clc1ccccc1CNS(=O)(=O)c1cc(ccc1OC)-c1onc(c1)C
InChI:   InChI=1/C18H17ClN2O4S/c1-12-9-17(25-21-12)13-7-8-16(24-2)18(10-13)26(22,23)20-11-14-5-3-4-6-15(14)19/h3-10,20H,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.0975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.863 g/mol  logS: -5.13035  SlogP: 4.05692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897291  Sterimol/B1: 2.80019  Sterimol/B2: 3.84057  Sterimol/B3: 5.60424
  Sterimol/B4: 6.64277  Sterimol/L: 18.3755 
 
 Surface and Volume Properties
  Accessible surface: 619.084  Positive charged surface: 311.886  Negative charged surface: 307.198  Volume: 336.875
  Hydrophobic surface: 516.4  Hydrophilic surface: 102.684
 
 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.