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NCID-ZINC01752770

 MMsINC code: MMs02362888
Type: Neutral
Formula: C11H15FN2O3
SMILES:   Fc1ccccc1NC(=O)NC(CO)(CO)C
InChI:   InChI=1/C11H15FN2O3/c1-11(6-15,7-16)14-10(17)13-9-5-3-2-4-8(9)12/h2-5,15-16H,6-7H2,1H3,(H2,13,14,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.3839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.25 g/mol  logS: -1.6453  SlogP: 0.6905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878746  Sterimol/B1: 1.969  Sterimol/B2: 4.02253  Sterimol/B3: 4.03476
  Sterimol/B4: 5.24444  Sterimol/L: 14.3383 
 
 Surface and Volume Properties
  Accessible surface: 446.821  Positive charged surface: 301.921  Negative charged surface: 144.901  Volume: 219
  Hydrophobic surface: 299.424  Hydrophilic surface: 147.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.