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CHEMBRIDGE-ZINC02822804

 MMsINC code: MMs00719489
Type: Neutral
Formula: C19H25NO2
SMILES:   O(CCCN(Cc1ccccc1)C)c1cc(OCC)ccc1
InChI:   InChI=1/C19H25NO2/c1-3-21-18-11-7-12-19(15-18)22-14-8-13-20(2)16-17-9-5-4-6-10-17/h4-7,9-12,15H,3,8,13-14,16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.8432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -3.68041  SlogP: 4.2526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335554  Sterimol/B1: 2.15296  Sterimol/B2: 3.79045  Sterimol/B3: 4.06614
  Sterimol/B4: 6.14253  Sterimol/L: 21.4936 
 
 Surface and Volume Properties
  Accessible surface: 622.582  Positive charged surface: 434.857  Negative charged surface: 187.725  Volume: 321.125
  Hydrophobic surface: 578.862  Hydrophilic surface: 43.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00719490
CHEMBRIDGE-ZINC02822804