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MAYBRIDGE-ZINC01031909

 MMsINC code: MMs02149682
Type: Neutral
Formula: C15H10F3N3O
SMILES:   FC(F)(F)c1cc(ccc1)-c1noc(c1)-c1nc(ncc1)C
InChI:   InChI=1/C15H10F3N3O/c1-9-19-6-5-12(20-9)14-8-13(21-22-14)10-3-2-4-11(7-10)15(16,17)18/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.2588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.259 g/mol  logS: -4.74209  SlogP: 4.43732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00788357  Sterimol/B1: 2.58564  Sterimol/B2: 2.68731  Sterimol/B3: 2.70984
  Sterimol/B4: 6.30156  Sterimol/L: 16.1838 
 
 Surface and Volume Properties
  Accessible surface: 509.071  Positive charged surface: 243.44  Negative charged surface: 265.631  Volume: 256.5
  Hydrophobic surface: 342.514  Hydrophilic surface: 166.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.