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PUBCHEM-ZINC02981181

 MMsINC code: MMs02973406
Type: Neutral
Formula: C16H27NO4
SMILES:   O(CCOCCNC(C)(C)C)c1c(OC)cccc1OC
InChI:   InChI=1/C16H27NO4/c1-16(2,3)17-9-10-20-11-12-21-15-13(18-4)7-6-8-14(15)19-5/h6-8,17H,9-12H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.1205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.395 g/mol  logS: -2.42723  SlogP: 2.4873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505172  Sterimol/B1: 2.27091  Sterimol/B2: 4.15882  Sterimol/B3: 4.67052
  Sterimol/B4: 5.85358  Sterimol/L: 15.9545 
 
 Surface and Volume Properties
  Accessible surface: 597.025  Positive charged surface: 483.549  Negative charged surface: 113.476  Volume: 313.5
  Hydrophobic surface: 514.445  Hydrophilic surface: 82.58
 
 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


MMs02973407
PUBCHEM-ZINC02981181