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ASINEX-ZINC00866128

 MMsINC code: MMs00199621
Type: Neutral
Formula: C16H23ClN2O4S2
SMILES:   Clc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChI:   InChI=1/C16H23ClN2O4S2/c17-15-8-7-14(24(20,21)18-9-3-1-4-10-18)13-16(15)25(22,23)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12H2

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Potential Energy
Epot(MMFF94)=27.4954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.955 g/mol  logS: -3.45459  SlogP: 2.6892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0868306  Sterimol/B1: 2.58388  Sterimol/B2: 3.09438  Sterimol/B3: 4.6533
  Sterimol/B4: 7.60823  Sterimol/L: 15.3404 
 
 Surface and Volume Properties
  Accessible surface: 590.469  Positive charged surface: 362.878  Negative charged surface: 227.592  Volume: 343.5
  Hydrophobic surface: 485.538  Hydrophilic surface: 104.931
 
 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.