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ASINEX-ZINC04384233

 MMsINC code: MMs00328822
Type: Ionized
Formula: C11H9FNO2-
SMILES:   Fc1cc2c([nH]c(C(=O)[O-])c2CC)cc1
InChI:   InChI=1/C11H10FNO2/c1-2-7-8-5-6(12)3-4-9(8)13-10(7)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.1821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.196 g/mol  logS: -3.02822  SlogP: 1.23287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606998  Sterimol/B1: 2.13262  Sterimol/B2: 2.39331  Sterimol/B3: 3.43019
  Sterimol/B4: 6.78445  Sterimol/L: 11.037 
 
 Surface and Volume Properties
  Accessible surface: 379.877  Positive charged surface: 191.339  Negative charged surface: 184.481  Volume: 183.25
  Hydrophobic surface: 254.921  Hydrophilic surface: 124.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00328821
ASINEX-ZINC04384233