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MAYBRIDGE-ZINC00139088

 MMsINC code: MMs02139021
Type: Neutral
Formula: C9H9Cl2NO2S3
SMILES:   Clc1cc(S(=O)(=O)N=C(SC)SC)ccc1Cl
InChI:   InChI=1/C9H9Cl2NO2S3/c1-15-9(16-2)12-17(13,14)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3

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Potential Energy
Epot(MMFF94)=21.7508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.28 g/mol  logS: -5.62787  SlogP: 3.7641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11734  Sterimol/B1: 2.74666  Sterimol/B2: 3.81843  Sterimol/B3: 4.47299
  Sterimol/B4: 6.30578  Sterimol/L: 14.844 
 
 Surface and Volume Properties
  Accessible surface: 499.473  Positive charged surface: 174.928  Negative charged surface: 324.544  Volume: 249.375
  Hydrophobic surface: 382.53  Hydrophilic surface: 116.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.