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PUBCHEM-ZINC00480480

 MMsINC code: MMs02689577
Type: Neutral
Formula: C11H9ClN2O3S
SMILES:   Clc1cc(Oc2ccncc2S(=O)(=O)N)ccc1
InChI:   InChI=1/C11H9ClN2O3S/c12-8-2-1-3-9(6-8)17-10-4-5-14-7-11(10)18(13,15)16/h1-7H,(H2,13,15,16)

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Potential Energy
Epot(MMFF94)=18.8626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.723 g/mol  logS: -2.87035  SlogP: 2.1747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126881  Sterimol/B1: 2.68359  Sterimol/B2: 4.44835  Sterimol/B3: 5.03369
  Sterimol/B4: 5.07782  Sterimol/L: 12.7903 
 
 Surface and Volume Properties
  Accessible surface: 454.999  Positive charged surface: 229.313  Negative charged surface: 225.686  Volume: 226.75
  Hydrophobic surface: 315.378  Hydrophilic surface: 139.621
 
 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


MMs02689578
PUBCHEM-ZINC00480480