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ASINEX-ZINC00064903

 MMsINC code: MMs00067883
Type: Neutral
Formula: C11H8FNO2
SMILES:   Fc1cc2cc(C(O)=O)c(nc2cc1)C
InChI:   InChI=1/C11H8FNO2/c1-6-9(11(14)15)5-7-4-8(12)2-3-10(7)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)=47.5105 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: 0.0099194  Sterimol/B1: 2.10463  Sterimol/B2: 2.46094  Sterimol/B3: 2.50497
  Sterimol/B4: 5.98654  Sterimol/L: 11.4865 
 
 Surface and Volume Properties
  Accessible surface: 379.803  Positive charged surface: 205.526  Negative charged surface: 168.716  Volume: 179
  Hydrophobic surface: 276.735  Hydrophilic surface: 103.068
 
 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


MMs00067884
ASINEX-ZINC00064903