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CHEMBLOCK-ZINC01089990

 MMsINC code: MMs00516053
Type: Neutral
Formula: C17H11NO4S2
SMILES:   S1c2c3c(cccc3c(S(=O)(=O)Nc3ccc(O)cc3)cc2)C1=O
InChI:   InChI=1/C17H11NO4S2/c19-11-6-4-10(5-7-11)18-24(21,22)15-9-8-14-16-12(15)2-1-3-13(16)17(20)23-14/h1-9,18-19H

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Potential Energy
Epot(MMFF94)=63.6611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.41 g/mol  logS: -5.49805  SlogP: 3.5921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283582  Sterimol/B1: 2.55191  Sterimol/B2: 4.1386  Sterimol/B3: 5.13222
  Sterimol/B4: 7.17822  Sterimol/L: 13.7511 
 
 Surface and Volume Properties
  Accessible surface: 520.177  Positive charged surface: 233.67  Negative charged surface: 280.083  Volume: 293.75
  Hydrophobic surface: 297.937  Hydrophilic surface: 222.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.