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PUBCHEM-ZINC02980683

 MMsINC code: MMs02973027
Type: Neutral
Formula: C14H23NO4
SMILES:   O(CCOCCN(CCO)C)c1ccccc1OC
InChI:   InChI=1/C14H23NO4/c1-15(7-9-16)8-10-18-11-12-19-14-6-4-3-5-13(14)17-2/h3-6,16H,7-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.0623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.32363  SlogP: 1.0147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123585  Sterimol/B1: 2.34085  Sterimol/B2: 3.69097  Sterimol/B3: 5.94232
  Sterimol/B4: 6.21459  Sterimol/L: 14.8997 
 
 Surface and Volume Properties
  Accessible surface: 566.411  Positive charged surface: 474.368  Negative charged surface: 92.0436  Volume: 276.875
  Hydrophobic surface: 504.446  Hydrophilic surface: 61.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02973028
PUBCHEM-ZINC02980683