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CHEMBRIDGE-ZINC03000608

 MMsINC code: MMs00749462
Type: Neutral
Formula: C15H25NO2
SMILES:   O(CCN(CCCC)C)c1ccccc1OCC
InChI:   InChI=1/C15H25NO2/c1-4-6-11-16(3)12-13-18-15-10-8-7-9-14(15)17-5-2/h7-10H,4-6,11-13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.37 g/mol  logS: -2.75494  SlogP: 3.196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21929  Sterimol/B1: 2.15017  Sterimol/B2: 4.65173  Sterimol/B3: 6.27317
  Sterimol/B4: 7.06139  Sterimol/L: 13.4165 
 
 Surface and Volume Properties
  Accessible surface: 566.14  Positive charged surface: 443.08  Negative charged surface: 123.06  Volume: 280.125
  Hydrophobic surface: 511.003  Hydrophilic surface: 55.137
 
 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


MMs00749463
CHEMBRIDGE-ZINC03000608