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CHEMBRIDGE-ZINC05024319

 MMsINC code: MMs00828571
Type: Neutral
Formula: C15H23NO2
SMILES:   O(CCN1CCCCC1)c1ccccc1OCC
InChI:   InChI=1/C15H23NO2/c1-2-17-14-8-4-5-9-15(14)18-13-12-16-10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.5264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -2.46489  SlogP: 2.95  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119212  Sterimol/B1: 2.17549  Sterimol/B2: 3.65757  Sterimol/B3: 4.32138
  Sterimol/B4: 8.87457  Sterimol/L: 13.3455 
 
 Surface and Volume Properties
  Accessible surface: 529.416  Positive charged surface: 409.434  Negative charged surface: 119.982  Volume: 266.75
  Hydrophobic surface: 497.274  Hydrophilic surface: 32.142
 
 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


MMs00828572
CHEMBRIDGE-ZINC05024319