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PUBCHEM-ZINC05996898

 MMsINC code: MMs03480925
Type: Neutral
Formula: C11H16FNO3
SMILES:   Fc1ccc(cc1)CNC(CO)(CO)CO
InChI:   InChI=1/C11H16FNO3/c12-10-3-1-9(2-4-10)5-13-11(6-14,7-15)8-16/h1-4,13-16H,5-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.9498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.251 g/mol  logS: -0.81274  SlogP: -0.1026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113456  Sterimol/B1: 3.01148  Sterimol/B2: 3.33392  Sterimol/B3: 3.59466
  Sterimol/B4: 5.77014  Sterimol/L: 13.3268 
 
 Surface and Volume Properties
  Accessible surface: 438.108  Positive charged surface: 301.604  Negative charged surface: 136.504  Volume: 214.75
  Hydrophobic surface: 295.581  Hydrophilic surface: 142.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03480926
PUBCHEM-ZINC05996898