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ACDBLOCKS-ZINC02582690

 MMsINC code: MMs00001107
Type: Neutral
Formula: C11H10FNO2
SMILES:   Fc1cc2c([nH]c(C)c2CC(O)=O)cc1
InChI:   InChI=1/C11H10FNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.5795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.204 g/mol  logS: -2.31402  SlogP: 2.24249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813735  Sterimol/B1: 2.31661  Sterimol/B2: 2.6779  Sterimol/B3: 3.52156
  Sterimol/B4: 6.30025  Sterimol/L: 11.1727 
 
 Surface and Volume Properties
  Accessible surface: 392.13  Positive charged surface: 215.901  Negative charged surface: 172.368  Volume: 186.75
  Hydrophobic surface: 277.418  Hydrophilic surface: 114.712
 
 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


MMs00001108
ACDBLOCKS-ZINC02582690