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PUBCHEM-ZINC01226556

 MMsINC code: MMs02790474
Type: Neutral
Formula: C13H24N2
SMILES:   N(CC1C2CC(C1)C=C2)(CCN(C)C)C
InChI:   InChI=1/C13H24N2/c1-14(2)6-7-15(3)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,6-10H2,1-3H3/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=72.7258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.349 g/mol  logS: -0.80955  SlogP: 1.692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903456  Sterimol/B1: 2.98977  Sterimol/B2: 3.73173  Sterimol/B3: 3.92238
  Sterimol/B4: 4.04273  Sterimol/L: 14.4297 
 
 Surface and Volume Properties
  Accessible surface: 467.009  Positive charged surface: 408.585  Negative charged surface: 58.4234  Volume: 240.75
  Hydrophobic surface: 430.495  Hydrophilic surface: 36.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02790475
PUBCHEM-ZINC01226556