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CHEMDIV-ZINC00186878

 MMsINC code: MMs00836802
Type: Neutral
Formula: C14H8F4O3
SMILES:   Fc1c(-c2ccc(OC)cc2)c(C(O)=O)c(F)c(F)c1F
InChI:   InChI=1/C14H8F4O3/c1-21-7-4-2-6(3-5-7)8-9(14(19)20)11(16)13(18)12(17)10(8)15/h2-5H,1H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.9175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.207 g/mol  logS: -5.01096  SlogP: 3.6168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979156  Sterimol/B1: 2.69846  Sterimol/B2: 4.09714  Sterimol/B3: 4.35154
  Sterimol/B4: 4.5041  Sterimol/L: 14.5057 
 
 Surface and Volume Properties
  Accessible surface: 464.357  Positive charged surface: 236.829  Negative charged surface: 226.192  Volume: 233.25
  Hydrophobic surface: 375.536  Hydrophilic surface: 88.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00836803
CHEMDIV-ZINC00186878