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PUBCHEM-ZINC01208834

 MMsINC code: MMs02788274
Type: Neutral
Formula: C11H10F3NO3
SMILES:   FC(F)(F)C1(ON=C(C1)c1ccc(OC)cc1)O
InChI:   InChI=1/C11H10F3NO3/c1-17-8-4-2-7(3-5-8)9-6-10(16,18-15-9)11(12,13)14/h2-5,16H,6H2,1H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.7941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.199 g/mol  logS: -2.93489  SlogP: 2.4904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409977  Sterimol/B1: 2.64843  Sterimol/B2: 3.35224  Sterimol/B3: 3.44726
  Sterimol/B4: 5.01506  Sterimol/L: 14.9013 
 
 Surface and Volume Properties
  Accessible surface: 440.671  Positive charged surface: 216.775  Negative charged surface: 223.896  Volume: 209.5
  Hydrophobic surface: 246.196  Hydrophilic surface: 194.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.