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PUBCHEM-ZINC06423793

 MMsINC code: MMs03723439
Type: Neutral
Formula: C14H13F3N4O3
SMILES:   FC(F)(F)c1cc(NC(=O)C(NC(=O)c2[nH]cnc2)CO)ccc1
InChI:   InChI=1/C14H13F3N4O3/c15-14(16,17)8-2-1-3-9(4-8)20-13(24)11(6-22)21-12(23)10-5-18-7-19-10/h1-5,7,11,22H,6H2,(H,18,19)(H,20,24)(H,21,23)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=68.126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.277 g/mol  logS: -3.13859  SlogP: 1.4694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455916  Sterimol/B1: 2.56052  Sterimol/B2: 2.75811  Sterimol/B3: 3.96101
  Sterimol/B4: 6.57445  Sterimol/L: 17.1314 
 
 Surface and Volume Properties
  Accessible surface: 551.499  Positive charged surface: 309.909  Negative charged surface: 241.59  Volume: 277.625
  Hydrophobic surface: 286.446  Hydrophilic surface: 265.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.