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CHEMBRIDGE-ZINC00757091

 MMsINC code: MMs00644012
Type: Neutral
Formula: C17H28N2
SMILES:   N(CCc1ccccc1)(C)C1CCN(CC1)CCC
InChI:   InChI=1/C17H28N2/c1-3-12-19-14-10-17(11-15-19)18(2)13-9-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.7933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.425 g/mol  logS: -2.29705  SlogP: 3.03527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0463234  Sterimol/B1: 3.03088  Sterimol/B2: 3.20335  Sterimol/B3: 3.50276
  Sterimol/B4: 6.73221  Sterimol/L: 17.0511 
 
 Surface and Volume Properties
  Accessible surface: 557.137  Positive charged surface: 427.501  Negative charged surface: 129.636  Volume: 295.875
  Hydrophobic surface: 531.294  Hydrophilic surface: 25.843
 
 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


MMs00644013
CHEMBRIDGE-ZINC00757091