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ENAMINE-ZINC02627833

 MMsINC code: MMs01260108
Type: Neutral
Formula: C20H22N2O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1OC)C(=O)N1CCc2c1cccc2
InChI:   InChI=1/C20H22N2O5S/c1-26-18-7-6-16(14-19(18)28(24,25)21-10-12-27-13-11-21)20(23)22-9-8-15-4-2-3-5-17(15)22/h2-7,14H,8-13H2,1H3

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Potential Energy
Epot(MMFF94)=154.048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.471 g/mol  logS: -3.68817  SlogP: 1.91897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339486  Sterimol/B1: 2.03517  Sterimol/B2: 3.44547  Sterimol/B3: 4.02173
  Sterimol/B4: 8.25897  Sterimol/L: 18.3018 
 
 Surface and Volume Properties
  Accessible surface: 628.237  Positive charged surface: 429.003  Negative charged surface: 199.234  Volume: 358.5
  Hydrophobic surface: 531.55  Hydrophilic surface: 96.687
 
 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.