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NANOSIN-ZINC01882025

 MMsINC code: MMs02199612
Type: Neutral
Formula: C14H9Cl3O3S
SMILES:   Clc1cc(Cl)cc(Cl)c1OS(=O)(=O)\C=C\c1ccccc1
InChI:   InChI=1/C14H9Cl3O3S/c15-11-8-12(16)14(13(17)9-11)20-21(18,19)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+

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Potential Energy
Epot(MMFF94)=76.3136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.648 g/mol  logS: -5.90169  SlogP: 5.0263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292983  Sterimol/B1: 3.11649  Sterimol/B2: 3.78984  Sterimol/B3: 3.80704
  Sterimol/B4: 6.50411  Sterimol/L: 14.7184 
 
 Surface and Volume Properties
  Accessible surface: 523.457  Positive charged surface: 160.076  Negative charged surface: 363.38  Volume: 280.75
  Hydrophobic surface: 458.322  Hydrophilic surface: 65.135
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.