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MAYBRIDGE-ZINC00140400

 MMsINC code: MMs02139358
Type: Neutral
Formula: C13H9Cl2N3O2S
SMILES:   Clc1cc(S(=O)(=O)Nc2n[nH]c3c2cccc3)ccc1Cl
InChI:   InChI=1/C13H9Cl2N3O2S/c14-10-6-5-8(7-11(10)15)21(19,20)18-13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=24.7582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.206 g/mol  logS: -5.10928  SlogP: 3.6705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125039  Sterimol/B1: 3.13016  Sterimol/B2: 4.03084  Sterimol/B3: 5.45266
  Sterimol/B4: 6.06017  Sterimol/L: 14.1731 
 
 Surface and Volume Properties
  Accessible surface: 508.876  Positive charged surface: 189.168  Negative charged surface: 313.865  Volume: 265.75
  Hydrophobic surface: 385.407  Hydrophilic surface: 123.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.