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ASINEX-ZINC00784290

 MMsINC code: MMs00162982
Type: Neutral
Formula: C23H20F2N2O
SMILES:   Fc1cc(F)ccc1NC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2
InChI:   InChI=1/C23H20F2N2O/c24-20-9-10-22(21(25)13-20)26-23(28)18-7-5-16(6-8-18)14-27-12-11-17-3-1-2-4-19(17)15-27/h1-10,13H,11-12,14-15H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.422 g/mol  logS: -5.76805  SlogP: 5.30817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464639  Sterimol/B1: 2.3409  Sterimol/B2: 2.98031  Sterimol/B3: 4.62625
  Sterimol/B4: 7.58896  Sterimol/L: 18.8556 
 
 Surface and Volume Properties
  Accessible surface: 649.172  Positive charged surface: 365.632  Negative charged surface: 283.54  Volume: 356.125
  Hydrophobic surface: 603.478  Hydrophilic surface: 45.694
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00162983
ASINEX-ZINC00784290