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AURORAFEINCHEMIE-ZINC03956726

 MMsINC code: MMs00458464
Type: Neutral
Formula: C11H13FN2O5
SMILES:   FC1CC(OC1COC(=O)C)N1C=CC(=O)NC1=O
InChI:   InChI=1/C11H13FN2O5/c1-6(15)18-5-8-7(12)4-10(19-8)14-3-2-9(16)13-11(14)17/h2-3,7-8,10H,4-5H2,1H3,(H,13,16,17)/t7-,8+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.232 g/mol  logS: -1.42026  SlogP: 0.488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103544  Sterimol/B1: 2.47707  Sterimol/B2: 2.77514  Sterimol/B3: 3.80289
  Sterimol/B4: 7.03665  Sterimol/L: 13.9133 
 
 Surface and Volume Properties
  Accessible surface: 468.419  Positive charged surface: 270.432  Negative charged surface: 197.987  Volume: 225.125
  Hydrophobic surface: 267.089  Hydrophilic surface: 201.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.