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ASINEX-ZINC02739094

 MMsINC code: MMs00277253
Type: Neutral
Formula: C19H25NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CNCCc1ccccc1OC
InChI:   InChI=1/C19H25NO4/c1-21-16-8-6-5-7-15(16)9-10-20-13-14-11-17(22-2)19(24-4)18(12-14)23-3/h5-8,11-12,20H,9-10,13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.412 g/mol  logS: -3.15627  SlogP: 3.31967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242627  Sterimol/B1: 3.02896  Sterimol/B2: 3.09934  Sterimol/B3: 3.27993
  Sterimol/B4: 8.53254  Sterimol/L: 18.5737 
 
 Surface and Volume Properties
  Accessible surface: 650.842  Positive charged surface: 531.718  Negative charged surface: 119.124  Volume: 337.5
  Hydrophobic surface: 607.097  Hydrophilic surface: 43.745
 
 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


MMs00277254
ASINEX-ZINC02739094