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NCID-ZINC01752771

 MMsINC code: MMs02362889
Type: Neutral
Formula: C11H15FN2O4
SMILES:   Fc1ccccc1NC(=O)NC(CO)(CO)CO
InChI:   InChI=1/C11H15FN2O4/c12-8-3-1-2-4-9(8)13-10(18)14-11(5-15,6-16)7-17/h1-4,15-17H,5-7H2,(H2,13,14,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.249 g/mol  logS: -1.11555  SlogP: -0.3371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108084  Sterimol/B1: 2.77576  Sterimol/B2: 3.33298  Sterimol/B3: 3.82816
  Sterimol/B4: 5.26683  Sterimol/L: 14.337 
 
 Surface and Volume Properties
  Accessible surface: 461.832  Positive charged surface: 319.232  Negative charged surface: 142.6  Volume: 226.5
  Hydrophobic surface: 285.83  Hydrophilic surface: 176.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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: no related molecules available.