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CHEMBRIDGE-ZINC03997970

 MMsINC code: MMs00758238
Type: Neutral
Formula: C18H34N4O2
SMILES:   O=C(NCCCCCCNC(=O)N1CCCCC1)N1CCCCC1
InChI:   InChI=1/C18H34N4O2/c23-17(21-13-7-3-8-14-21)19-11-5-1-2-6-12-20-18(24)22-15-9-4-10-16-22/h1-16H2,(H,19,23)(H,20,24)

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Potential Energy
Epot(MMFF94)=-22.6653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.496 g/mol  logS: -1.72152  SlogP: 2.9378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154328  Sterimol/B1: 3.11183  Sterimol/B2: 3.31044  Sterimol/B3: 3.32381
  Sterimol/B4: 4.85726  Sterimol/L: 22.5687 
 
 Surface and Volume Properties
  Accessible surface: 680.534  Positive charged surface: 566.926  Negative charged surface: 113.608  Volume: 354.625
  Hydrophobic surface: 599.488  Hydrophilic surface: 81.046
 
 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.