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ASINEX-ZINC01327920

 MMsINC code: MMs00235977
Type: Neutral
Formula: C20H22N2O4S2
SMILES:   S1CCCN=C1N(S(=O)(=O)c1ccc(cc1)C(=O)C)c1ccc(OCC)cc1
InChI:   InChI=1/C20H22N2O4S2/c1-3-26-18-9-7-17(8-10-18)22(20-21-13-4-14-27-20)28(24,25)19-11-5-16(6-12-19)15(2)23/h5-12H,3-4,13-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=91.7127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.538 g/mol  logS: -5.71101  SlogP: 3.9761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104778  Sterimol/B1: 3.24186  Sterimol/B2: 3.99318  Sterimol/B3: 5.23774
  Sterimol/B4: 9.47958  Sterimol/L: 17.2994 
 
 Surface and Volume Properties
  Accessible surface: 662.563  Positive charged surface: 421.183  Negative charged surface: 241.38  Volume: 374.5
  Hydrophobic surface: 525.755  Hydrophilic surface: 136.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.