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PEAKDALE-ZINC01499547

 MMsINC code: MMs02611546
Type: Neutral
Formula: C19H15F3N4O2
SMILES:   FC(F)(F)c1cc(NC(=O)N2CC3=C(N=C4N(C=CC=C4)C3=O)CC2)ccc1
InChI:   InChI=1/C19H15F3N4O2/c20-19(21,22)12-4-3-5-13(10-12)23-18(28)25-9-7-15-14(11-25)17(27)26-8-2-1-6-16(26)24-15/h1-6,8,10H,7,9,11H2,(H,23,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.4841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.349 g/mol  logS: -4.6152  SlogP: 3.8328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415094  Sterimol/B1: 2.5907  Sterimol/B2: 3.79984  Sterimol/B3: 4.51659
  Sterimol/B4: 6.14965  Sterimol/L: 17.8008 
 
 Surface and Volume Properties
  Accessible surface: 606.091  Positive charged surface: 305.166  Negative charged surface: 300.925  Volume: 323.5
  Hydrophobic surface: 408.909  Hydrophilic surface: 197.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.