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IFLAB-ZINC04192832

 MMsINC code: MMs02027492
Type: Neutral
Formula: C15H15F3N2O5
SMILES:   FC(F)(F)C1(O)NC(=O)NC(C1C(=O)C)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C15H15F3N2O5/c1-7(21)10-11(8-3-5-9(6-4-8)12(22)25-2)19-13(23)20-14(10,24)15(16,17)18/h3-6,10-11,24H,1-2H3,(H2,19,20,23)/t10-,11+,14+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.288 g/mol  logS: -2.9344  SlogP: 1.7986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133368  Sterimol/B1: 2.39663  Sterimol/B2: 3.066  Sterimol/B3: 5.70653
  Sterimol/B4: 6.63368  Sterimol/L: 15.3276 
 
 Surface and Volume Properties
  Accessible surface: 528.024  Positive charged surface: 291.782  Negative charged surface: 236.242  Volume: 287.5
  Hydrophobic surface: 278.934  Hydrophilic surface: 249.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.