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ASINEX-ZINC04566328

 MMsINC code: MMs00352639
Type: Neutral
Formula: C16H25NO5
SMILES:   O1CCN(CCOCCOc2c(OCC1)cccc2)CCO
InChI:   InChI=1/C16H25NO5/c18-8-5-17-6-9-19-11-13-21-15-3-1-2-4-16(15)22-14-12-20-10-7-17/h1-4,18H,5-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=201.806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.378 g/mol  logS: -1.61511  SlogP: 0.7853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132942  Sterimol/B1: 3.54019  Sterimol/B2: 3.77772  Sterimol/B3: 4.68095
  Sterimol/B4: 6.13449  Sterimol/L: 12.7718 
 
 Surface and Volume Properties
  Accessible surface: 521.291  Positive charged surface: 442.588  Negative charged surface: 78.7028  Volume: 302.625
  Hydrophobic surface: 477.283  Hydrophilic surface: 44.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs00352640
ASINEX-ZINC04566328