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ACDBLOCKS-ZINC02582707

 MMsINC code: MMs00001135
Type: Neutral
Formula: C10H6F3NO2
SMILES:   FC(F)(F)c1cc2[nH]c(cc2cc1)C(O)=O
InChI:   InChI=1/C10H6F3NO2/c11-10(12,13)6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.5846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.157 g/mol  logS: -2.85365  SlogP: 3.1964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141841  Sterimol/B1: 2.56146  Sterimol/B2: 2.63559  Sterimol/B3: 2.64053
  Sterimol/B4: 5.33334  Sterimol/L: 12.685 
 
 Surface and Volume Properties
  Accessible surface: 383.493  Positive charged surface: 144.637  Negative charged surface: 232.746  Volume: 175.75
  Hydrophobic surface: 152.126  Hydrophilic surface: 231.367
 
 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


MMs00001136
ACDBLOCKS-ZINC02582707