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PUBCHEM-ZINC05834687

 MMsINC code: MMs03407347
Type: Neutral
Formula: C16H35N
SMILES:   N(CCCCCCCCCCC(C)C)CCC
InChI:   InChI=1/C16H35N/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3/h16-17H,4-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.311174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.463 g/mol  logS: -5.56764  SlogP: 5.1529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150158  Sterimol/B1: 2.86376  Sterimol/B2: 3.07471  Sterimol/B3: 3.20158
  Sterimol/B4: 3.40999  Sterimol/L: 23.3857 
 
 Surface and Volume Properties
  Accessible surface: 625.998  Positive charged surface: 522.119  Negative charged surface: 103.879  Volume: 307.625
  Hydrophobic surface: 543.859  Hydrophilic surface: 82.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03407348
PUBCHEM-ZINC05834687