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AURORAFEINCHEMIE-ZINC01383423

 MMsINC code: MMs00448391
Type: Neutral
Formula: C11H10F3NO2
SMILES:   FC(F)(F)c1ccc(NC(=O)\C=C(/O)\C)cc1
InChI:   InChI=1/C11H10F3NO2/c1-7(16)6-10(17)15-9-4-2-8(3-5-9)11(12,13)14/h2-6,16H,1H3,(H,15,17)/b7-6-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.2 g/mol  logS: -2.83078  SlogP: 3.4172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194377  Sterimol/B1: 2.52117  Sterimol/B2: 2.63478  Sterimol/B3: 3.53423
  Sterimol/B4: 4.15275  Sterimol/L: 14.4496 
 
 Surface and Volume Properties
  Accessible surface: 437.808  Positive charged surface: 190.596  Negative charged surface: 247.211  Volume: 199.375
  Hydrophobic surface: 260.182  Hydrophilic surface: 177.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00448393
AURORAFEINCHEMIE-ZINC01383423


MMs00448395
AURORAFEINCHEMIE-ZINC01383423


MMs00448394
AURORAFEINCHEMIE-ZINC01383423


MMs00448392
AURORAFEINCHEMIE-ZINC01383423