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PUBCHEM-ZINC03074333

 MMsINC code: MMs02989728
Type: Neutral
Formula: C18H16ClNO5S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)CC)c3c(cccc3)c2O)cc1
InChI:   InChI=1/C18H16ClNO5S2/c1-2-26(22,23)20-16-11-17(18(21)15-6-4-3-5-14(15)16)27(24,25)13-9-7-12(19)8-10-13/h3-11,20-21H,2H2,1H3

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Potential Energy
Epot(MMFF94)=80.5033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.913 g/mol  logS: -5.76484  SlogP: 3.7932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124484  Sterimol/B1: 2.34481  Sterimol/B2: 3.30889  Sterimol/B3: 4.8969
  Sterimol/B4: 9.42329  Sterimol/L: 16.2175 
 
 Surface and Volume Properties
  Accessible surface: 611.121  Positive charged surface: 260.228  Negative charged surface: 340.505  Volume: 345.625
  Hydrophobic surface: 443.754  Hydrophilic surface: 167.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.