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PUBCHEM-ZINC04202367

 MMsINC code: MMs03098744
Type: Neutral
Formula: C10H7F6NO2
SMILES:   FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(N)C(O)=O
InChI:   InChI=1/C10H7F6NO2/c11-9(12,13)5-1-4(7(17)8(18)19)2-6(3-5)10(14,15)16/h1-3,7H,17H2,(H,18,19)/t7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.2976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.159 g/mol  logS: -3.15874  SlogP: 3.5271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165062  Sterimol/B1: 3.09986  Sterimol/B2: 3.59039  Sterimol/B3: 4.0198
  Sterimol/B4: 6.37331  Sterimol/L: 10.2948 
 
 Surface and Volume Properties
  Accessible surface: 423.992  Positive charged surface: 128.85  Negative charged surface: 295.142  Volume: 198.375
  Hydrophobic surface: 75.9654  Hydrophilic surface: 348.0266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03098745
PUBCHEM-ZINC04202367