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CHEMDIV-ZINC00273165

 MMsINC code: MMs00849037
Type: Neutral
Formula: C22H21FN2O
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1cc2c(cc1)cccc2
InChI:   InChI=1/C22H21FN2O/c23-21-9-7-19(8-10-21)22(26)25-13-11-24(12-14-25)16-17-5-6-18-3-1-2-4-20(18)15-17/h1-10,15H,11-14,16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.421 g/mol  logS: -5.41251  SlogP: 4.2033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474462  Sterimol/B1: 2.627  Sterimol/B2: 3.5369  Sterimol/B3: 4.5661
  Sterimol/B4: 5.13494  Sterimol/L: 19.2002 
 
 Surface and Volume Properties
  Accessible surface: 606.325  Positive charged surface: 363.543  Negative charged surface: 232.348  Volume: 339.5
  Hydrophobic surface: 568.05  Hydrophilic surface: 38.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00849038
CHEMDIV-ZINC00273165