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PUBCHEM-ZINC02980677

 MMsINC code: MMs02973023
Type: Neutral
Formula: C15H25NO4
SMILES:   O(CCOCCNC(C)C)c1c(OC)cccc1OC
InChI:   InChI=1/C15H25NO4/c1-12(2)16-8-9-19-10-11-20-15-13(17-3)6-5-7-14(15)18-4/h5-7,12,16H,8-11H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.9049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.368 g/mol  logS: -2.10002  SlogP: 2.0972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356134  Sterimol/B1: 2.93727  Sterimol/B2: 3.34316  Sterimol/B3: 4.60399
  Sterimol/B4: 5.4922  Sterimol/L: 16.0307 
 
 Surface and Volume Properties
  Accessible surface: 581.39  Positive charged surface: 481.816  Negative charged surface: 99.574  Volume: 295.625
  Hydrophobic surface: 511.06  Hydrophilic surface: 70.33
 
 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


MMs02973024
PUBCHEM-ZINC02980677