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CHEMDIV-ZINC07005306

 MMsINC code: MMs01070735
Type: Neutral
Formula: C18H17ClN2O4S
SMILES:   Clc1ccccc1NS(=O)(=O)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C18H17ClN2O4S/c1-11-12(2)20-25-18(11)13-8-9-16(24-3)17(10-13)26(22,23)21-15-7-5-4-6-14(15)19/h4-10,21H,1-3H3

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Potential Energy
Epot(MMFF94)=91.6521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.863 g/mol  logS: -5.34678  SlogP: 4.42124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145271  Sterimol/B1: 1.98715  Sterimol/B2: 5.93487  Sterimol/B3: 6.11084
  Sterimol/B4: 6.17723  Sterimol/L: 16.0505 
 
 Surface and Volume Properties
  Accessible surface: 603.773  Positive charged surface: 310.349  Negative charged surface: 293.424  Volume: 336.25
  Hydrophobic surface: 503.546  Hydrophilic surface: 100.227
 
 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.