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NCID-ZINC01639474

 MMsINC code: MMs02281710
Type: Neutral
Formula: C14H34N4+4
SMILES:   [NH+](=C\[N+](C)(C)C)/CCCCCC\[NH+]=C/[N+](C)(C)C
InChI:   InChI=1/C14H32N4/c1-17(2,3)13-15-11-9-7-8-10-12-16-14-18(4,5)6/h13-14H,7-12H2,1-6H3/q+2/p+2/b15-13+,16-14+

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Potential Energy
Epot(MMFF94)=60.6178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: -0.20334  SlogP: -1.823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391724  Sterimol/B1: 1.969  Sterimol/B2: 3.57239  Sterimol/B3: 3.65991
  Sterimol/B4: 5.14899  Sterimol/L: 19.7492 
 
 Surface and Volume Properties
  Accessible surface: 622.168  Positive charged surface: 608.691  Negative charged surface: 13.4763  Volume: 314.875
  Hydrophobic surface: 488.249  Hydrophilic surface: 133.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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


MMs02281711
NCID-ZINC01639474