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PUBCHEM-ZINC02567709

 MMsINC code: MMs02902217
Type: Neutral
Formula: C18H27N
SMILES:   N1(CCCCC1)C1(CCC(CC1)C)c1ccccc1
InChI:   InChI=1/C18H27N/c1-16-10-12-18(13-11-16,17-8-4-2-5-9-17)19-14-6-3-7-15-19/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3/t16-,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.421 g/mol  logS: -3.99684  SlogP: 4.8894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252261  Sterimol/B1: 3.54454  Sterimol/B2: 3.73  Sterimol/B3: 4.4316
  Sterimol/B4: 6.61896  Sterimol/L: 11.3635 
 
 Surface and Volume Properties
  Accessible surface: 473.942  Positive charged surface: 339.657  Negative charged surface: 134.285  Volume: 283.25
  Hydrophobic surface: 456.942  Hydrophilic surface: 17
 
 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


MMs02902218
PUBCHEM-ZINC02567709