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ASINEX-ZINC04384233

 MMsINC code: MMs00328821
Type: Neutral
Formula: C11H10FNO2
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)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.2984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.204 g/mol  logS: -2.76777  SlogP: 2.56757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577051  Sterimol/B1: 2.08137  Sterimol/B2: 2.37339  Sterimol/B3: 3.41156
  Sterimol/B4: 6.61174  Sterimol/L: 11.0838 
 
 Surface and Volume Properties
  Accessible surface: 386.015  Positive charged surface: 217.716  Negative charged surface: 164.206  Volume: 187
  Hydrophobic surface: 249.8  Hydrophilic surface: 136.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs00328822
ASINEX-ZINC04384233