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AURORAFEINCHEMIE-ZINC06778803

 MMsINC code: MMs00481215
Type: Neutral
Formula: C10H11F3N2O3
SMILES:   FC(F)(F)CNC(=O)C(NC(=O)c1occc1)C
InChI:   InChI=1/C10H11F3N2O3/c1-6(8(16)14-5-10(11,12)13)15-9(17)7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,14,16)(H,15,17)/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.203 g/mol  logS: -2.86535  SlogP: 1.4963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.044652  Sterimol/B1: 2.24308  Sterimol/B2: 2.4628  Sterimol/B3: 4.06126
  Sterimol/B4: 5.50292  Sterimol/L: 15.7363 
 
 Surface and Volume Properties
  Accessible surface: 463.832  Positive charged surface: 209.306  Negative charged surface: 254.525  Volume: 212
  Hydrophobic surface: 244.691  Hydrophilic surface: 219.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.