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PUBCHEM-ZINC06488323

 MMsINC code: MMs03763058
Type: Neutral
Formula: C12H24N2
SMILES:   N1C(CCCC1C)CC1NCCCC1
InChI:   InChI=1/C12H24N2/c1-10-5-4-7-12(14-10)9-11-6-2-3-8-13-11/h10-14H,2-9H2,1H3/t10-,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=1.65047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.338 g/mol  logS: -1.1617  SlogP: 2.0492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115782  Sterimol/B1: 2.34334  Sterimol/B2: 3.31333  Sterimol/B3: 4.00999
  Sterimol/B4: 5.32933  Sterimol/L: 13.4874 
 
 Surface and Volume Properties
  Accessible surface: 438.405  Positive charged surface: 365.802  Negative charged surface: 72.6035  Volume: 224.125
  Hydrophobic surface: 386.657  Hydrophilic surface: 51.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03763059
PUBCHEM-ZINC06488323