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ASINEX-ZINC00378899

 MMsINC code: MMs00126766
Type: Neutral
Formula: C11H9Cl2NO2S2
SMILES:   Clc1cc(Cl)ccc1CNS(=O)(=O)c1sccc1
InChI:   InChI=1/C11H9Cl2NO2S2/c12-9-4-3-8(10(13)6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2

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Potential Energy
Epot(MMFF94)=18.3281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.236 g/mol  logS: -4.42435  SlogP: 3.7998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746759  Sterimol/B1: 3.06649  Sterimol/B2: 3.19028  Sterimol/B3: 4.18573
  Sterimol/B4: 5.58504  Sterimol/L: 14.8307 
 
 Surface and Volume Properties
  Accessible surface: 486.159  Positive charged surface: 159.795  Negative charged surface: 326.364  Volume: 250.125
  Hydrophobic surface: 407.216  Hydrophilic surface: 78.943
 
 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.