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ENAMINE-ZINC05120054

 MMsINC code: MMs01589326
Type: Neutral
Formula: C20H24N2O4S2
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)CSCCOc1ccccc1)c1ccccc1
InChI:   InChI=1/C20H24N2O4S2/c23-20(17-27-16-15-26-18-7-3-1-4-8-18)21-11-13-22(14-12-21)28(24,25)19-9-5-2-6-10-19/h1-10H,11-17H2

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Potential Energy
Epot(MMFF94)=95.3619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.554 g/mol  logS: -4.35046  SlogP: 2.3317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039956  Sterimol/B1: 3.38245  Sterimol/B2: 4.60978  Sterimol/B3: 4.96799
  Sterimol/B4: 5.45419  Sterimol/L: 22.1817 
 
 Surface and Volume Properties
  Accessible surface: 702.939  Positive charged surface: 419.977  Negative charged surface: 282.962  Volume: 387.125
  Hydrophobic surface: 580.288  Hydrophilic surface: 122.651
 
 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.