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CHEMBRIDGE-ZINC04988761

 MMsINC code: MMs00820837
Type: Neutral
Formula: C13H24N2
SMILES:   N1(CCN(CC1)CC)CC1CCC=CC1
InChI:   InChI=1/C13H24N2/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=45.5753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.349 g/mol  logS: -0.87242  SlogP: 1.9802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100239  Sterimol/B1: 3.36438  Sterimol/B2: 3.5039  Sterimol/B3: 3.51755
  Sterimol/B4: 3.53745  Sterimol/L: 14.8184 
 
 Surface and Volume Properties
  Accessible surface: 457.179  Positive charged surface: 382.508  Negative charged surface: 74.6711  Volume: 240.25
  Hydrophobic surface: 401.949  Hydrophilic surface: 55.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs00820838
CHEMBRIDGE-ZINC04988761