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PUBCHEM-ZINC06423794

 MMsINC code: MMs03723440
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-/m0/s1

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Potential Energy
Epot(MMFF94)=67.8454 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: 0.0516899  Sterimol/B1: 3.03554  Sterimol/B2: 3.71711  Sterimol/B3: 3.82802
  Sterimol/B4: 5.79869  Sterimol/L: 15.6722 
 
 Surface and Volume Properties
  Accessible surface: 549.296  Positive charged surface: 308.374  Negative charged surface: 240.922  Volume: 275.75
  Hydrophobic surface: 285.823  Hydrophilic surface: 263.473
 
 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.