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PUBCHEM-ZINC04637990

 MMsINC code: MMs03144145
Type: Tautomer
Formula: C16H13FO3
SMILES:   Fc1ccc(cc1)C(=O)CC(=O)c1ccc(cc1O)C
InChI:   InChI=1/C16H13FO3/c1-10-2-7-13(15(19)8-10)16(20)9-14(18)11-3-5-12(17)6-4-11/h2-8,19H,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.2439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.275 g/mol  logS: -4.07791  SlogP: 3.29542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00701882  Sterimol/B1: 2.38081  Sterimol/B2: 2.50765  Sterimol/B3: 3.14316
  Sterimol/B4: 5.61473  Sterimol/L: 16.4133 
 
 Surface and Volume Properties
  Accessible surface: 496.269  Positive charged surface: 268.605  Negative charged surface: 227.664  Volume: 250.75
  Hydrophobic surface: 398.504  Hydrophilic surface: 97.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Parent related molecule:


MMs03144144
PUBCHEM-ZINC04637990