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PUBCHEM-ZINC03627518

 MMsINC code: MMs03026262
Type: Neutral
Formula: C14H21NO4
SMILES:   O1CCN(CC1)CCOc1cc(OC)cc(OC)c1
InChI:   InChI=1/C14H21NO4/c1-16-12-9-13(17-2)11-14(10-12)19-8-5-15-3-6-18-7-4-15/h9-11H,3-8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.7393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.325 g/mol  logS: -1.72539  SlogP: 1.4148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815402  Sterimol/B1: 2.49681  Sterimol/B2: 3.82458  Sterimol/B3: 4.38105
  Sterimol/B4: 7.06129  Sterimol/L: 14.7574 
 
 Surface and Volume Properties
  Accessible surface: 526.972  Positive charged surface: 450.447  Negative charged surface: 76.5252  Volume: 262.375
  Hydrophobic surface: 487.554  Hydrophilic surface: 39.418
 
 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


MMs03026263
PUBCHEM-ZINC03627518