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NCID-ZINC01615561

 MMsINC code: MMs02265186
Type: Tautomer
Formula: C11H22N4+2
SMILES:   [NH2+](C(C#N)(C)C)CCC[NH2+]C(C#N)(C)C
InChI:   InChI=1/C11H20N4/c1-10(2,8-12)14-6-5-7-15-11(3,4)9-13/h14-15H,5-7H2,1-4H3/p+2

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Potential Energy
Epot(MMFF94)=54.8031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.325 g/mol  logS: -1.34099  SlogP: -0.892332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978558  Sterimol/B1: 2.34989  Sterimol/B2: 2.39206  Sterimol/B3: 4.77762
  Sterimol/B4: 4.91802  Sterimol/L: 15.1365 
 
 Surface and Volume Properties
  Accessible surface: 487.924  Positive charged surface: 324.265  Negative charged surface: 163.659  Volume: 241.25
  Hydrophobic surface: 251.01  Hydrophilic surface: 236.914
 
 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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Parent related molecule:


MMs02265185
NCID-ZINC01615561