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TYGER-ZINC04204262

 MMsINC code: MMs03950756
Type: Neutral
Formula: C14H11FO2
SMILES:   Fc1cc(ccc1C)-c1cc(ccc1)C(O)=O
InChI:   InChI=1/C14H11FO2/c1-9-5-6-11(8-13(9)15)10-3-2-4-12(7-10)14(16)17/h2-8H,1H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.5848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.238 g/mol  logS: -4.23611  SlogP: 3.49932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00496455  Sterimol/B1: 2.10564  Sterimol/B2: 2.51236  Sterimol/B3: 3.84997
  Sterimol/B4: 5.03617  Sterimol/L: 14.1105 
 
 Surface and Volume Properties
  Accessible surface: 439.885  Positive charged surface: 212.291  Negative charged surface: 216.973  Volume: 217
  Hydrophobic surface: 344.327  Hydrophilic surface: 95.558
 
 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


MMs03950757
TYGER-ZINC04204262