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CHEMBRIDGE-ZINC03003452

 MMsINC code: MMs00751373
Type: Neutral
Formula: C14H23NO2
SMILES:   O(CCN(CCCC)C)c1ccc(OC)cc1
InChI:   InChI=1/C14H23NO2/c1-4-5-10-15(2)11-12-17-14-8-6-13(16-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -2.42773  SlogP: 2.8059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943921  Sterimol/B1: 2.34461  Sterimol/B2: 3.67852  Sterimol/B3: 3.77385
  Sterimol/B4: 7.54555  Sterimol/L: 15.6008 
 
 Surface and Volume Properties
  Accessible surface: 528.871  Positive charged surface: 422.959  Negative charged surface: 105.912  Volume: 261.375
  Hydrophobic surface: 490.701  Hydrophilic surface: 38.17
 
 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


MMs00751374
CHEMBRIDGE-ZINC03003452