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CHEMBRIDGE-ZINC04893171

 MMsINC code: MMs00809132
Type: Neutral
Formula: C19H20F2N2O
SMILES:   Fc1cccc(F)c1C(=O)NC1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C19H20F2N2O/c20-16-7-4-8-17(21)18(16)19(24)22-15-9-11-23(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.3 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.378 g/mol  logS: -4.33914  SlogP: 3.6256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589553  Sterimol/B1: 2.4985  Sterimol/B2: 3.52018  Sterimol/B3: 4.0399
  Sterimol/B4: 6.52202  Sterimol/L: 17.3517 
 
 Surface and Volume Properties
  Accessible surface: 588.855  Positive charged surface: 351.225  Negative charged surface: 237.631  Volume: 313.125
  Hydrophobic surface: 543.175  Hydrophilic surface: 45.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00809133
CHEMBRIDGE-ZINC04893171