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ASINEX-ZINC00414820

 MMsINC code: MMs00130709
Type: Neutral
Formula: C14H20N2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)NC2CCCC2)cc1
InChI:   InChI=1/C14H20N2O4S2/c17-21(18,15-11-3-1-2-4-11)13-7-9-14(10-8-13)22(19,20)16-12-5-6-12/h7-12,15-16H,1-6H2

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Potential Energy
Epot(MMFF94)=9.37478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.456 g/mol  logS: -2.56914  SlogP: 1.3482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910781  Sterimol/B1: 2.98822  Sterimol/B2: 4.35334  Sterimol/B3: 4.81735
  Sterimol/B4: 5.53459  Sterimol/L: 16.6462 
 
 Surface and Volume Properties
  Accessible surface: 568.358  Positive charged surface: 330.106  Negative charged surface: 238.252  Volume: 299.5
  Hydrophobic surface: 372.657  Hydrophilic surface: 195.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.