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PUBCHEM-ZINC03778824

 MMsINC code: MMs03075800
Type: Neutral
Formula: C22H15FN2O2
SMILES:   Fc1cc2c(nc(-c3ccc(cc3)-c3ccccc3)c(N)c2C(O)=O)cc1
InChI:   InChI=1/C22H15FN2O2/c23-16-10-11-18-17(12-16)19(22(26)27)20(24)21(25-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,24H2,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.372 g/mol  logS: -6.78024  SlogP: 4.9883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235808  Sterimol/B1: 2.6873  Sterimol/B2: 3.60739  Sterimol/B3: 4.85765
  Sterimol/B4: 5.39294  Sterimol/L: 18.6626 
 
 Surface and Volume Properties
  Accessible surface: 588.232  Positive charged surface: 285.28  Negative charged surface: 284.329  Volume: 330
  Hydrophobic surface: 452.005  Hydrophilic surface: 136.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03075801
PUBCHEM-ZINC03778824