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CHEMBRIDGE-ZINC04646782

 MMsINC code: MMs00774125
Type: Neutral
Formula: C22H40N2O2S
SMILES:   S(CCC(=O)NC1CCCCCCC1)CCC(=O)NC1CCCCCCC1
InChI:   InChI=1/C22H40N2O2S/c25-21(23-19-11-7-3-1-4-8-12-19)15-17-27-18-16-22(26)24-20-13-9-5-2-6-10-14-20/h19-20H,1-18H2,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=139.313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.64 g/mol  logS: -5.69456  SlogP: 4.958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315555  Sterimol/B1: 2.481  Sterimol/B2: 2.78662  Sterimol/B3: 4.82901
  Sterimol/B4: 6.0069  Sterimol/L: 21.9893 
 
 Surface and Volume Properties
  Accessible surface: 737.64  Positive charged surface: 555.561  Negative charged surface: 182.08  Volume: 413
  Hydrophobic surface: 630.214  Hydrophilic surface: 107.426
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.