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PUBCHEM-ZINC03686051

 MMsINC code: MMs03041412
Type: Neutral
Formula: C20H23FN2O2
SMILES:   Fc1cc2c([nH]c(-c3cccc(OC)c3OC)c2CCCCN)cc1
InChI:   InChI=1/C20H23FN2O2/c1-24-18-8-5-7-15(20(18)25-2)19-14(6-3-4-11-22)16-12-13(21)9-10-17(16)23-19/h5,7-10,12,23H,3-4,6,11,22H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.414 g/mol  logS: -4.59563  SlogP: 4.27257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153557  Sterimol/B1: 3.97533  Sterimol/B2: 4.24321  Sterimol/B3: 6.07273
  Sterimol/B4: 7.53946  Sterimol/L: 15.2288 
 
 Surface and Volume Properties
  Accessible surface: 610.177  Positive charged surface: 440.175  Negative charged surface: 166.653  Volume: 337.125
  Hydrophobic surface: 508.708  Hydrophilic surface: 101.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03041413
PUBCHEM-ZINC03686051