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PUBCHEM-ZINC06523993

 MMsINC code: MMs03782062
Type: Neutral
Formula: C10H9F3N2O4
SMILES:   FC(F)(F)C1=CN(C2OC(C=C2)CO)C(=O)NC1=O
InChI:   InChI=1/C10H9F3N2O4/c11-10(12,13)6-3-15(9(18)14-8(6)17)7-2-1-5(4-16)19-7/h1-3,5,7,16H,4H2,(H,14,17,18)/t5-,7+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.186 g/mol  logS: -1.87513  SlogP: 0.6777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188323  Sterimol/B1: 3.46104  Sterimol/B2: 3.65308  Sterimol/B3: 3.81839
  Sterimol/B4: 4.9757  Sterimol/L: 11.24 
 
 Surface and Volume Properties
  Accessible surface: 413.867  Positive charged surface: 202.595  Negative charged surface: 211.272  Volume: 203.75
  Hydrophobic surface: 126.885  Hydrophilic surface: 286.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.