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AURORAFEINCHEMIE-ZINC00185121

 MMsINC code: MMs00446171
Type: Neutral
Formula: C11H10F3NO2
SMILES:   FC(F)(F)c1cc(NC(=O)\C=C(/O)\C)ccc1
InChI:   InChI=1/C11H10F3NO2/c1-7(16)5-10(17)15-9-4-2-3-8(6-9)11(12,13)14/h2-6,16H,1H3,(H,15,17)/b7-5-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5948 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: 0.0251017  Sterimol/B1: 2.65644  Sterimol/B2: 2.80849  Sterimol/B3: 4.07796
  Sterimol/B4: 4.7286  Sterimol/L: 13.248 
 
 Surface and Volume Properties
  Accessible surface: 425.991  Positive charged surface: 187.271  Negative charged surface: 238.72  Volume: 201.375
  Hydrophobic surface: 252.757  Hydrophilic surface: 173.234
 
 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


MMs00446172
AURORAFEINCHEMIE-ZINC00185121


MMs00446175
AURORAFEINCHEMIE-ZINC00185121


MMs00446173
AURORAFEINCHEMIE-ZINC00185121


MMs00446174
AURORAFEINCHEMIE-ZINC00185121