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MAYBRIDGE-ZINC01040970

 MMsINC code: MMs02154044
Type: Neutral
Formula: C13H11ClINO2S
SMILES:   Ic1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1
InChI:   InChI=1/C13H11ClINO2S/c14-11-6-7-13(12(15)8-11)19(17,18)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=22.6263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.659 g/mol  logS: -4.71657  SlogP: 3.6895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971855  Sterimol/B1: 3.19331  Sterimol/B2: 3.4893  Sterimol/B3: 5.17248
  Sterimol/B4: 5.19649  Sterimol/L: 15.1795 
 
 Surface and Volume Properties
  Accessible surface: 511.588  Positive charged surface: 190.051  Negative charged surface: 321.537  Volume: 272.875
  Hydrophobic surface: 441.641  Hydrophilic surface: 69.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.