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APOLLO-ZINC02571497

 MMsINC code: MMs00054696
Type: Neutral
Formula: C9H8FNO3
SMILES:   Fc1cc(C(O)=O)c(NC(=O)C)cc1
InChI:   InChI=1/C9H8FNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.165 g/mol  logS: -1.85871  SlogP: 1.4823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0257463  Sterimol/B1: 2.37759  Sterimol/B2: 2.4485  Sterimol/B3: 4.65744
  Sterimol/B4: 5.18746  Sterimol/L: 11.2956 
 
 Surface and Volume Properties
  Accessible surface: 367.508  Positive charged surface: 200.731  Negative charged surface: 166.777  Volume: 166.125
  Hydrophobic surface: 238.751  Hydrophilic surface: 128.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Ions/Tautomers related molecules


MMs00054697
APOLLO-ZINC02571497