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PUBCHEM-ZINC05832840

 MMsINC code: MMs03406373
Type: Neutral
Formula: C15H23N
SMILES:   N(CCC)(CCC)C1Cc2c(C1)cccc2
InChI:   InChI=1/C15H23N/c1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15/h5-8,15H,3-4,9-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.2882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.356 g/mol  logS: -2.55963  SlogP: 3.27574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185338  Sterimol/B1: 3.58009  Sterimol/B2: 3.59751  Sterimol/B3: 4.34551
  Sterimol/B4: 6.6306  Sterimol/L: 13.5929 
 
 Surface and Volume Properties
  Accessible surface: 479.295  Positive charged surface: 338.995  Negative charged surface: 140.3  Volume: 250.375
  Hydrophobic surface: 432.807  Hydrophilic surface: 46.488
 
 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


MMs03406374
PUBCHEM-ZINC05832840