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PUBCHEM-ZINC06468000

MMsINC code: MMs03749659

Type: Neutral
Formula: C16H16FNO2
SMILES:   Fc1ccccc1C(=O)NC(C(O)c1ccccc1)C
InChI:   InChI=1/C16H16FNO2/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17/h2-11,15,19H,1H3,(H,18,20)/t11-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.0503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.307 g/mol  logS: -3.71856  SlogP: 2.7731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077293  Sterimol/B1: 2.23808  Sterimol/B2: 3.31448  Sterimol/B3: 4.25537
  Sterimol/B4: 5.09853  Sterimol/L: 16.4401 
 
 Surface and Volume Properties
  Accessible surface: 498.95  Positive charged surface: 269.942  Negative charged surface: 229.008  Volume: 263.625
  Hydrophobic surface: 416.856  Hydrophilic surface: 82.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.