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CHEMDIV-ZINC00273186

 MMsINC code: MMs00849039
Type: Neutral
Formula: C19H21FN2O2
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1cc(OC)ccc1
InChI:   InChI=1/C19H21FN2O2/c1-24-18-4-2-3-15(13-18)14-21-9-11-22(12-10-21)19(23)16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.387 g/mol  logS: -3.58501  SlogP: 3.0587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057659  Sterimol/B1: 2.5031  Sterimol/B2: 2.79798  Sterimol/B3: 4.79903
  Sterimol/B4: 5.62488  Sterimol/L: 18.3063 
 
 Surface and Volume Properties
  Accessible surface: 582.685  Positive charged surface: 394.116  Negative charged surface: 188.568  Volume: 317.375
  Hydrophobic surface: 533.231  Hydrophilic surface: 49.454
 
 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


MMs00849040
CHEMDIV-ZINC00273186