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ASINEX-ZINC02734977

 MMsINC code: MMs00277061
Type: Neutral
Formula: C19H25NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CNCCc1ccc(OC)cc1
InChI:   InChI=1/C19H25NO4/c1-21-16-7-5-14(6-8-16)9-10-20-13-15-11-17(22-2)19(24-4)18(12-15)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)=103.027 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: 0.0220417  Sterimol/B1: 2.41751  Sterimol/B2: 3.798  Sterimol/B3: 5.30437
  Sterimol/B4: 6.54118  Sterimol/L: 20.6352 
 
 Surface and Volume Properties
  Accessible surface: 662.266  Positive charged surface: 539.189  Negative charged surface: 123.077  Volume: 338
  Hydrophobic surface: 608.539  Hydrophilic surface: 53.727
 
 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


MMs00277062
ASINEX-ZINC02734977