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CHEMBRIDGE-ZINC01656350

 MMsINC code: MMs00694876
Type: Neutral
Formula: C15H23NO4
SMILES:   O1CCN(CC1)CCCOc1c(OC)cccc1OC
InChI:   InChI=1/C15H23NO4/c1-17-13-5-3-6-14(18-2)15(13)20-10-4-7-16-8-11-19-12-9-16/h3,5-6H,4,7-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.9912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.352 g/mol  logS: -1.92716  SlogP: 1.8049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487286  Sterimol/B1: 2.32752  Sterimol/B2: 3.28438  Sterimol/B3: 3.5559
  Sterimol/B4: 9.4921  Sterimol/L: 15.8842 
 
 Surface and Volume Properties
  Accessible surface: 561.278  Positive charged surface: 480.699  Negative charged surface: 80.5799  Volume: 285
  Hydrophobic surface: 529.724  Hydrophilic surface: 31.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs00694877
CHEMBRIDGE-ZINC01656350