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PUBCHEM-ZINC00197668

 MMsINC code: MMs02638457
Type: Neutral
Formula: C20H23NO3
SMILES:   O(C)c1cc2c(cc1OC)CN(Cc1ccccc1)C(C)(C)C2=O
InChI:   InChI=1/C20H23NO3/c1-20(2)19(22)16-11-18(24-4)17(23-3)10-15(16)13-21(20)12-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.408 g/mol  logS: -4.23316  SlogP: 4.2137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138125  Sterimol/B1: 2.40737  Sterimol/B2: 4.07523  Sterimol/B3: 4.08308
  Sterimol/B4: 9.66077  Sterimol/L: 14.8933 
 
 Surface and Volume Properties
  Accessible surface: 577.041  Positive charged surface: 397.951  Negative charged surface: 179.089  Volume: 327
  Hydrophobic surface: 492.169  Hydrophilic surface: 84.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02638458
PUBCHEM-ZINC00197668