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PUBCHEM-ZINC06655650

 MMsINC code: MMs03835372
Type: Neutral
Formula: C20H32N2O2
SMILES:   Oc1c(cc(N=NC(=O)CCCCC)cc1C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C20H32N2O2/c1-8-9-10-11-17(23)22-21-14-12-15(19(2,3)4)18(24)16(13-14)20(5,6)7/h12-13,24H,8-11H2,1-7H3/b22-21+

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Potential Energy
Epot(MMFF94)=108.607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.488 g/mol  logS: -6.64623  SlogP: 6.1778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383584  Sterimol/B1: 3.58467  Sterimol/B2: 3.67613  Sterimol/B3: 5.7573
  Sterimol/B4: 5.76062  Sterimol/L: 18.8686 
 
 Surface and Volume Properties
  Accessible surface: 654.506  Positive charged surface: 455.527  Negative charged surface: 198.979  Volume: 360.375
  Hydrophobic surface: 479.29  Hydrophilic surface: 175.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.