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CHEMBRIDGE-ZINC01615562

 MMsINC code: MMs00694782
Type: Neutral
Formula: C14H28N4+2
SMILES:   [NH2+](C(C#N)(C)C)CCCCCC[NH2+]C(C#N)(C)C
InChI:   InChI=1/C14H26N4/c1-13(2,11-15)17-9-7-5-6-8-10-18-14(3,4)12-16/h17-18H,5-10H2,1-4H3/p+2

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Potential Energy
Epot(MMFF94)=42.7077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.406 g/mol  logS: -1.9463  SlogP: 0.277968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487049  Sterimol/B1: 2.38476  Sterimol/B2: 3.60045  Sterimol/B3: 4.87256
  Sterimol/B4: 4.92597  Sterimol/L: 18.6128 
 
 Surface and Volume Properties
  Accessible surface: 582.795  Positive charged surface: 409.045  Negative charged surface: 173.75  Volume: 297.625
  Hydrophobic surface: 345.482  Hydrophilic surface: 237.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00694783
CHEMBRIDGE-ZINC01615562