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PUBCHEM-ZINC05509131

 MMsINC code: MMs03291185
Type: Neutral
Formula: C19H23NO3
SMILES:   O(C)c1cc(ccc1OC)C(=O)CC(N(C)C)c1ccccc1
InChI:   InChI=1/C19H23NO3/c1-20(2)16(14-8-6-5-7-9-14)13-17(21)15-10-11-18(22-3)19(12-15)23-4/h5-12,16H,13H2,1-4H3/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.51 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.397 g/mol  logS: -3.33826  SlogP: 3.675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0788438  Sterimol/B1: 2.60796  Sterimol/B2: 3.33685  Sterimol/B3: 4.65591
  Sterimol/B4: 6.92057  Sterimol/L: 15.9928 
 
 Surface and Volume Properties
  Accessible surface: 582.083  Positive charged surface: 437.868  Negative charged surface: 144.214  Volume: 316.75
  Hydrophobic surface: 540.076  Hydrophilic surface: 42.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03291186
PUBCHEM-ZINC05509131