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CHEMBRIDGE-ZINC04902507

 MMsINC code: MMs00809895
Type: Neutral
Formula: C21H38N2O2
SMILES:   O=C(NC1CCCCCCC1)CCCC(=O)NC1CCCCCCC1
InChI:   InChI=1/C21H38N2O2/c24-20(22-18-12-7-3-1-4-8-13-18)16-11-17-21(25)23-19-14-9-5-2-6-10-15-19/h18-19H,1-17H2,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=138.705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.547 g/mol  logS: -4.90445  SlogP: 4.6149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456192  Sterimol/B1: 2.53562  Sterimol/B2: 2.71916  Sterimol/B3: 4.93958
  Sterimol/B4: 5.41456  Sterimol/L: 19.3849 
 
 Surface and Volume Properties
  Accessible surface: 667.975  Positive charged surface: 513.806  Negative charged surface: 154.169  Volume: 374
  Hydrophobic surface: 592.906  Hydrophilic surface: 75.069
 
 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.