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OAKWOOD-ZINC04290685

 MMsINC code: MMs02551292
Type: Tautomer
Formula: C11H28N2+2
SMILES:   [NH2+](C(CC)C)CC[NH2+]CCCCC
InChI:   InChI=1/C11H26N2/c1-4-6-7-8-12-9-10-13-11(3)5-2/h11-13H,4-10H2,1-3H3/p+2/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=41.2444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.359 g/mol  logS: -1.49125  SlogP: 0.1019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031266  Sterimol/B1: 2.81272  Sterimol/B2: 3.0825  Sterimol/B3: 3.5602
  Sterimol/B4: 4.37235  Sterimol/L: 17.2927 
 
 Surface and Volume Properties
  Accessible surface: 504.924  Positive charged surface: 426.02  Negative charged surface: 78.9039  Volume: 241.125
  Hydrophobic surface: 389.976  Hydrophilic surface: 114.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 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:


MMs02551291
OAKWOOD-ZINC04290685