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OTAVA-ZINC05014186

 MMsINC code: MMs02587200
Type: Neutral
Formula: C24H19FN2
SMILES:   Fc1ccc(cc1)-c1cc(nnc1-c1ccc(cc1)C)-c1ccc(cc1)C
InChI:   InChI=1/C24H19FN2/c1-16-3-7-19(8-4-16)23-15-22(18-11-13-21(25)14-12-18)24(27-26-23)20-9-5-17(2)6-10-20/h3-15H,1-2H3

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Potential Energy
Epot(MMFF94)=129.959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.428 g/mol  logS: -8.57912  SlogP: 6.23354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261183  Sterimol/B1: 2.9214  Sterimol/B2: 3.33037  Sterimol/B3: 4.66472
  Sterimol/B4: 6.50881  Sterimol/L: 18.088 
 
 Surface and Volume Properties
  Accessible surface: 622.616  Positive charged surface: 319.448  Negative charged surface: 290.904  Volume: 349.5
  Hydrophobic surface: 581.888  Hydrophilic surface: 40.728
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.