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ENAMINE-ZINC03242237

 MMsINC code: MMs01325511
Type: Neutral
Formula: C19H14F3N3O3
SMILES:   FC(F)(F)c1cc(NC(=O)NNC(=O)c2cc3c(cc2O)cccc3)ccc1
InChI:   InChI=1/C19H14F3N3O3/c20-19(21,22)13-6-3-7-14(10-13)23-18(28)25-24-17(27)15-8-11-4-1-2-5-12(11)9-16(15)26/h1-10,26H,(H,24,27)(H2,23,25,28)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.333 g/mol  logS: -6.05306  SlogP: 4.3422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157984  Sterimol/B1: 2.44515  Sterimol/B2: 2.53648  Sterimol/B3: 4.03704
  Sterimol/B4: 8.29851  Sterimol/L: 17.1074 
 
 Surface and Volume Properties
  Accessible surface: 613.904  Positive charged surface: 272.315  Negative charged surface: 330.517  Volume: 323.625
  Hydrophobic surface: 359.172  Hydrophilic surface: 254.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.