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ENAMINE-ZINC03411532

 MMsINC code: MMs01426147
Type: Neutral
Formula: C10H8F4O3
SMILES:   FC(F)(COC(=O)\C=C\c1occc1)C(F)F
InChI:   InChI=1/C10H8F4O3/c11-9(12)10(13,14)6-17-8(15)4-3-7-2-1-5-16-7/h1-5,9H,6H2/b4-3+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.0302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.163 g/mol  logS: -3.25545  SlogP: 3.5762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029112  Sterimol/B1: 3.27988  Sterimol/B2: 3.31082  Sterimol/B3: 3.59239
  Sterimol/B4: 4.06039  Sterimol/L: 14.6145 
 
 Surface and Volume Properties
  Accessible surface: 439.855  Positive charged surface: 170.67  Negative charged surface: 269.185  Volume: 194.5
  Hydrophobic surface: 255.911  Hydrophilic surface: 183.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.