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PUBCHEM-ZINC05766782

 MMsINC code: MMs03379785
Type: Neutral
Formula: C15H13FO2
SMILES:   Fc1ccccc1-c1ccc(cc1)CCC(O)=O
InChI:   InChI=1/C15H13FO2/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-6,8-9H,7,10H2,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.265 g/mol  logS: -4.01903  SlogP: 3.50987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451424  Sterimol/B1: 2.41715  Sterimol/B2: 2.42842  Sterimol/B3: 3.71844
  Sterimol/B4: 5.1045  Sterimol/L: 16.2805 
 
 Surface and Volume Properties
  Accessible surface: 472.842  Positive charged surface: 254.134  Negative charged surface: 213.634  Volume: 235
  Hydrophobic surface: 373.677  Hydrophilic surface: 99.165
 
 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


MMs03379786
PUBCHEM-ZINC05766782