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CHEMBRIDGE-ZINC02880637

 MMsINC code: MMs00733642
Type: Neutral
Formula: C16H27NO2
SMILES:   O(CCCCCN(CC)CC)c1cc(OC)ccc1
InChI:   InChI=1/C16H27NO2/c1-4-17(5-2)12-7-6-8-13-19-16-11-9-10-15(14-16)18-3/h9-11,14H,4-8,12-13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.5776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.397 g/mol  logS: -2.64326  SlogP: 3.5861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246292  Sterimol/B1: 2.21272  Sterimol/B2: 2.45476  Sterimol/B3: 4.30898
  Sterimol/B4: 6.33395  Sterimol/L: 19.4348 
 
 Surface and Volume Properties
  Accessible surface: 589.022  Positive charged surface: 455.159  Negative charged surface: 133.863  Volume: 295.125
  Hydrophobic surface: 528.352  Hydrophilic surface: 60.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00733643
CHEMBRIDGE-ZINC02880637