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TYGER-ZINC04204253

 MMsINC code: MMs03950744
Type: Neutral
Formula: C14H11FO2
SMILES:   Fc1ccc(cc1C)-c1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H11FO2/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)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)=59.1488 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: 0.00500537  Sterimol/B1: 2.1017  Sterimol/B2: 2.30608  Sterimol/B3: 2.51192
  Sterimol/B4: 6.07202  Sterimol/L: 14.098 
 
 Surface and Volume Properties
  Accessible surface: 434.21  Positive charged surface: 211.109  Negative charged surface: 211.916  Volume: 214.25
  Hydrophobic surface: 338.071  Hydrophilic surface: 96.139
 
 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


MMs03950745
TYGER-ZINC04204253