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MAYBRIDGE-ZINC01026188

 MMsINC code: MMs02148451
Type: Neutral
Formula: C12H10Cl2N2O3S2
SMILES:   Clc1cc(Cl)c(S(=O)(=O)Nc2ccsc2C(=O)N)cc1C
InChI:   InChI=1/C12H10Cl2N2O3S2/c1-6-4-10(8(14)5-7(6)13)21(18,19)16-9-2-3-20-11(9)12(15)17/h2-5,16H,1H3,(H2,15,17)

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Potential Energy
Epot(MMFF94)=25.7173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.261 g/mol  logS: -4.73456  SlogP: 3.26302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106522  Sterimol/B1: 3.19431  Sterimol/B2: 3.63513  Sterimol/B3: 4.50455
  Sterimol/B4: 6.56313  Sterimol/L: 14.5964 
 
 Surface and Volume Properties
  Accessible surface: 509.655  Positive charged surface: 183.472  Negative charged surface: 326.183  Volume: 275.875
  Hydrophobic surface: 342.439  Hydrophilic surface: 167.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.