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PUBCHEM-ZINC02006691

 MMsINC code: MMs02846706
Type: Neutral
Formula: C15H27N
SMILES:   N(CCCC1C2CC3CC1CC(C2)C3)(C)C
InChI:   InChI=1/C15H27N/c1-16(2)5-3-4-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14+,15-

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Potential Energy
Epot(MMFF94)=47.3725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.388 g/mol  logS: -4.86349  SlogP: 3.4005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127554  Sterimol/B1: 3.35386  Sterimol/B2: 3.72092  Sterimol/B3: 4.0608
  Sterimol/B4: 4.50306  Sterimol/L: 13.723 
 
 Surface and Volume Properties
  Accessible surface: 462.218  Positive charged surface: 412.805  Negative charged surface: 49.4132  Volume: 252.125
  Hydrophobic surface: 459.41  Hydrophilic surface: 2.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02846707
PUBCHEM-ZINC02006691