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APOLLO-ZINC04334556

 MMsINC code: MMs00059092
Type: Neutral
Formula: C5H6FNO3
SMILES:   FC1CC(NC1=O)C(O)=O
InChI:   InChI=1/C5H6FNO3/c6-2-1-3(5(9)10)7-4(2)8/h2-3H,1H2,(H,7,8)(H,9,10)/t2-,3+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.105 g/mol  logS: -0.43325  SlogP: -0.2825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147937  Sterimol/B1: 2.39904  Sterimol/B2: 2.52525  Sterimol/B3: 3.22912
  Sterimol/B4: 4.57986  Sterimol/L: 9.2762 
 
 Surface and Volume Properties
  Accessible surface: 292.446  Positive charged surface: 162.395  Negative charged surface: 130.051  Volume: 113.25
  Hydrophobic surface: 81.1751  Hydrophilic surface: 211.2709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00059093
APOLLO-ZINC04334556