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ENAMINE-ZINC06586540

 MMsINC code: MMs01678554
Type: Neutral
Formula: C20H24N2O4S2
SMILES:   s1cccc1S(=O)(=O)N1Cc2c(CC1C(=O)N1CC(OC(C1)C)C)cccc2
InChI:   InChI=1/C20H24N2O4S2/c1-14-11-21(12-15(2)26-14)20(23)18-10-16-6-3-4-7-17(16)13-22(18)28(24,25)19-8-5-9-27-19/h3-9,14-15,18H,10-13H2,1-2H3/t14-,15+,18-/m0/s1

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Potential Energy
Epot(MMFF94)=132.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.554 g/mol  logS: -4.2277  SlogP: 2.76587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156856  Sterimol/B1: 3.41743  Sterimol/B2: 4.85313  Sterimol/B3: 5.82439
  Sterimol/B4: 6.62821  Sterimol/L: 14.6833 
 
 Surface and Volume Properties
  Accessible surface: 639.042  Positive charged surface: 384.497  Negative charged surface: 254.544  Volume: 374.5
  Hydrophobic surface: 534.229  Hydrophilic surface: 104.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.