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ASINEX-ZINC00374336

 MMsINC code: MMs00126015
Type: Neutral
Formula: C10H7F6NO3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1cc([N+](=O)[O-])c(cc1)C
InChI:   InChI=1/C10H7F6NO3/c1-5-2-3-6(4-7(5)17(19)20)8(18,9(11,12)13)10(14,15)16/h2-4,18H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.158 g/mol  logS: -4.27258  SlogP: 4.36672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130819  Sterimol/B1: 3.21047  Sterimol/B2: 3.83212  Sterimol/B3: 3.94018
  Sterimol/B4: 5.54882  Sterimol/L: 11.1723 
 
 Surface and Volume Properties
  Accessible surface: 408.744  Positive charged surface: 112.248  Negative charged surface: 296.496  Volume: 204
  Hydrophobic surface: 142.626  Hydrophilic surface: 266.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.