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ENAMINE-ZINC03194834

 MMsINC code: MMs01302580
Type: Neutral
Formula: C10H16F3NO4
SMILES:   FC(F)(F)C(O)(C(NC=O)C(OC)=O)CCCC
InChI:   InChI=1/C10H16F3NO4/c1-3-4-5-9(17,10(11,12)13)7(14-6-15)8(16)18-2/h6-7,17H,3-5H2,1-2H3,(H,14,15)/t7-,9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.9878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.235 g/mol  logS: -2.50743  SlogP: 1.1775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914498  Sterimol/B1: 3.02793  Sterimol/B2: 3.34262  Sterimol/B3: 3.73586
  Sterimol/B4: 6.0778  Sterimol/L: 13.9099 
 
 Surface and Volume Properties
  Accessible surface: 451.451  Positive charged surface: 292.901  Negative charged surface: 158.549  Volume: 226.875
  Hydrophobic surface: 243.298  Hydrophilic surface: 208.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.