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ASINEX-ZINC00064901

 MMsINC code: MMs00067881
Type: Neutral
Formula: C11H8FNO2
SMILES:   Fc1cc2c(nc(cc2C(O)=O)C)cc1
InChI:   InChI=1/C11H8FNO2/c1-6-4-9(11(14)15)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.188 g/mol  logS: -2.55119  SlogP: 2.38052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125327  Sterimol/B1: 2.10571  Sterimol/B2: 2.51267  Sterimol/B3: 2.89499
  Sterimol/B4: 7.19575  Sterimol/L: 11.1205 
 
 Surface and Volume Properties
  Accessible surface: 379.129  Positive charged surface: 202.667  Negative charged surface: 171.419  Volume: 180.5
  Hydrophobic surface: 274.072  Hydrophilic surface: 105.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00067882
ASINEX-ZINC00064901