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PUBCHEM-ZINC05842401

 MMsINC code: MMs03411519
Type: Ionized
Formula: C10H22N2+2
SMILES:   [NH2+]1CCCCC1C1[NH2+]CCCC1
InChI:   InChI=1/C10H20N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-12H,1-8H2/p+2/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=44.5224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.58394  SlogP: -0.7818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143705  Sterimol/B1: 2.44452  Sterimol/B2: 2.47689  Sterimol/B3: 3.57884
  Sterimol/B4: 4.29111  Sterimol/L: 12.1619 
 
 Surface and Volume Properties
  Accessible surface: 393.689  Positive charged surface: 355.202  Negative charged surface: 38.4875  Volume: 195.875
  Hydrophobic surface: 333.602  Hydrophilic surface: 60.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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:


MMs03411518
PUBCHEM-ZINC05842401