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NCID-ZINC00001650

 MMsINC code: MMs02212731
Type: Neutral
Formula: C19H40N2+2
SMILES:   [N+](C)(C)(C)C1CCC(CC1)CC1CCC([N+](C)(C)C)CC1
InChI:   InChI=1/C19H40N2/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6/h16-19H,7-15H2,1-6H3/q+2/t16-,17-,18-,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.543 g/mol  logS: -2.33218  SlogP: 3.9065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724433  Sterimol/B1: 2.11393  Sterimol/B2: 2.59356  Sterimol/B3: 4.60717
  Sterimol/B4: 5.63178  Sterimol/L: 17.2865 
 
 Surface and Volume Properties
  Accessible surface: 567.906  Positive charged surface: 527.789  Negative charged surface: 40.1171  Volume: 347.375
  Hydrophobic surface: 468.849  Hydrophilic surface: 99.057
 
 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: no related molecules available.