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ASINEX-ZINC00276958

 MMsINC code: MMs00106321
Type: Neutral
Formula: C17H34N2+2
SMILES:   [NH+]1(CCC([NH+]2CCCCC2)CC1)C1CCCCCC1
InChI:   InChI=1/C17H32N2/c1-2-5-9-16(8-4-1)19-14-10-17(11-15-19)18-12-6-3-7-13-18/h16-17H,1-15H2/p+2

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Potential Energy
Epot(MMFF94)=41.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.473 g/mol  logS: -2.63043  SlogP: 0.8253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740153  Sterimol/B1: 3.42376  Sterimol/B2: 3.44263  Sterimol/B3: 3.83919
  Sterimol/B4: 4.69135  Sterimol/L: 16.5949 
 
 Surface and Volume Properties
  Accessible surface: 533.8  Positive charged surface: 469.882  Negative charged surface: 63.9185  Volume: 308.125
  Hydrophobic surface: 502.607  Hydrophilic surface: 31.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs00106322
ASINEX-ZINC00276958