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CHEMBRIDGE-ZINC04646784

 MMsINC code: MMs00774127
Type: Neutral
Formula: C20H36N2O2S
SMILES:   S(CCC(=O)NC1CCCCCC1)CCC(=O)NC1CCCCCC1
InChI:   InChI=1/C20H36N2O2S/c23-19(21-17-9-5-1-2-6-10-17)13-15-25-16-14-20(24)22-18-11-7-3-4-8-12-18/h17-18H,1-16H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=46.9405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.586 g/mol  logS: -4.66412  SlogP: 4.1778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233158  Sterimol/B1: 2.4593  Sterimol/B2: 3.25099  Sterimol/B3: 3.95821
  Sterimol/B4: 5.73469  Sterimol/L: 22.8866 
 
 Surface and Volume Properties
  Accessible surface: 704.885  Positive charged surface: 544.021  Negative charged surface: 160.865  Volume: 383.25
  Hydrophobic surface: 594.702  Hydrophilic surface: 110.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.