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ALFAAESAR-ZINC04293544

 MMsINC code: MMs00024727
Type: Neutral
Formula: C17H10F6O4
SMILES:   FC(F)(F)C(C(F)(F)F)(c1ccc(cc1)C(O)=O)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.251 g/mol  logS: -5.04171  SlogP: 5.3335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152653  Sterimol/B1: 2.65828  Sterimol/B2: 3.28459  Sterimol/B3: 5.09848
  Sterimol/B4: 5.79541  Sterimol/L: 15.5065 
 
 Surface and Volume Properties
  Accessible surface: 523.125  Positive charged surface: 213.741  Negative charged surface: 309.383  Volume: 289.125
  Hydrophobic surface: 192.829  Hydrophilic surface: 330.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00024728
ALFAAESAR-ZINC04293544