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PUBCHEM-ZINC01853553

 MMsINC code: MMs02827122
Type: Neutral
Formula: C10H22N2
SMILES:   N(CCCCN)C1CCCCC1
InChI:   InChI=1/C10H22N2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h10,12H,1-9,11H2

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Potential Energy
Epot(MMFF94)=-3.52677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.92352  SlogP: 1.6476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581738  Sterimol/B1: 2.92828  Sterimol/B2: 3.20438  Sterimol/B3: 3.51467
  Sterimol/B4: 4.12034  Sterimol/L: 14.8074 
 
 Surface and Volume Properties
  Accessible surface: 430.346  Positive charged surface: 364.562  Negative charged surface: 65.7838  Volume: 201.375
  Hydrophobic surface: 348.574  Hydrophilic surface: 81.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs02827123
PUBCHEM-ZINC01853553