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MAYBRIDGE-ZINC01026210

 MMsINC code: MMs02148458
Type: Neutral
Formula: C18H13Cl2NO4S2
SMILES:   Clc1cc(Cl)ccc1S(=O)(=O)Nc1cc(sc1C(OC)=O)-c1ccccc1
InChI:   InChI=1/C18H13Cl2NO4S2/c1-25-18(22)17-14(10-15(26-17)11-5-3-2-4-6-11)21-27(23,24)16-8-7-12(19)9-13(16)20/h2-10,21H,1H3

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Potential Energy
Epot(MMFF94)=58.2736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.343 g/mol  logS: -7.09888  SlogP: 5.3093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765015  Sterimol/B1: 3.54233  Sterimol/B2: 4.49623  Sterimol/B3: 5.86999
  Sterimol/B4: 7.07951  Sterimol/L: 15.0803 
 
 Surface and Volume Properties
  Accessible surface: 606.517  Positive charged surface: 248.405  Negative charged surface: 358.112  Volume: 354.125
  Hydrophobic surface: 503.739  Hydrophilic surface: 102.778
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.