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CHEMDIV-ZINC04909116

 MMsINC code: MMs00963929
Type: Neutral
Formula: C23H15F2N3O
SMILES:   Fc1cc(ccc1)C1N(C(=O)c2[nH]nc(c12)-c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C23H15F2N3O/c24-16-11-9-14(10-12-16)20-19-21(27-26-20)23(29)28(18-7-2-1-3-8-18)22(19)15-5-4-6-17(25)13-15/h1-13,22H,(H,26,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.389 g/mol  logS: -6.71328  SlogP: 5.2002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148575  Sterimol/B1: 3.09585  Sterimol/B2: 4.73448  Sterimol/B3: 6.11812
  Sterimol/B4: 6.39634  Sterimol/L: 15.6746 
 
 Surface and Volume Properties
  Accessible surface: 590.728  Positive charged surface: 290.918  Negative charged surface: 299.811  Volume: 347.125
  Hydrophobic surface: 487.136  Hydrophilic surface: 103.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.