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ASINEX-ZINC00279952

 MMsINC code: MMs00106951
Type: Neutral
Formula: C13H28N2+2
SMILES:   [NH+](CC(C)=C)(CC)C1CC[NH+](CC1)CC
InChI:   InChI=1/C13H26N2/c1-5-14-9-7-13(8-10-14)15(6-2)11-12(3)4/h13H,3,5-11H2,1-2,4H3/p+2

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Potential Energy
Epot(MMFF94)=29.6426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.381 g/mol  logS: -1.05752  SlogP: -0.4655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092615  Sterimol/B1: 3.2163  Sterimol/B2: 3.32763  Sterimol/B3: 3.41896
  Sterimol/B4: 5.88669  Sterimol/L: 14.9476 
 
 Surface and Volume Properties
  Accessible surface: 474.641  Positive charged surface: 378.573  Negative charged surface: 96.0677  Volume: 258.375
  Hydrophobic surface: 368.811  Hydrophilic surface: 105.83
 
 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


MMs00106952
ASINEX-ZINC00279952