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CHEMBRIDGE-ZINC04989389

 MMsINC code: MMs00821577
Type: Neutral
Formula: C15H26N2
SMILES:   N(CCN(Cc1cc(ccc1)C)C)(CC)CC
InChI:   InChI=1/C15H26N2/c1-5-17(6-2)11-10-16(4)13-15-9-7-8-14(3)12-15/h7-9,12H,5-6,10-11,13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -2.28256  SlogP: 3.03502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547759  Sterimol/B1: 2.54002  Sterimol/B2: 2.88313  Sterimol/B3: 3.87571
  Sterimol/B4: 6.06253  Sterimol/L: 15.2283 
 
 Surface and Volume Properties
  Accessible surface: 531.278  Positive charged surface: 399.181  Negative charged surface: 132.097  Volume: 272.75
  Hydrophobic surface: 477.456  Hydrophilic surface: 53.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00821578
CHEMBRIDGE-ZINC04989389