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ASINEX-ZINC00863589

 MMsINC code: MMs00198434
Type: Neutral
Formula: C17H18Cl2N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChI:   InChI=1/C17H18Cl2N2O4S2/c18-14-2-6-16(7-3-14)26(22,23)20-10-1-11-21(13-12-20)27(24,25)17-8-4-15(19)5-9-17/h2-9H,1,10-13H2

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Potential Energy
Epot(MMFF94)=51.2258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.379 g/mol  logS: -4.82553  SlogP: 3.0787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243277  Sterimol/B1: 2.86322  Sterimol/B2: 4.67974  Sterimol/B3: 5.55336
  Sterimol/B4: 7.14207  Sterimol/L: 15.5418 
 
 Surface and Volume Properties
  Accessible surface: 581.845  Positive charged surface: 272.031  Negative charged surface: 309.814  Volume: 361.625
  Hydrophobic surface: 507.524  Hydrophilic surface: 74.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.