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CHEMBRIDGE-ZINC02932058

 MMsINC code: MMs00742177
Type: Neutral
Formula: C14H23NO3
SMILES:   O(CCNCCCC)c1c(OC)cccc1OC
InChI:   InChI=1/C14H23NO3/c1-4-5-9-15-10-11-18-14-12(16-2)7-6-8-13(14)17-3/h6-8,15H,4-5,9-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.8298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.34716  SlogP: 2.4723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465126  Sterimol/B1: 2.44494  Sterimol/B2: 4.25721  Sterimol/B3: 5.0096
  Sterimol/B4: 6.01471  Sterimol/L: 16.1862 
 
 Surface and Volume Properties
  Accessible surface: 548.996  Positive charged surface: 457.866  Negative charged surface: 91.1304  Volume: 270.875
  Hydrophobic surface: 500.715  Hydrophilic surface: 48.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00742178
CHEMBRIDGE-ZINC02932058