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MAYBRIDGE-ZINC01039644

 MMsINC code: MMs02153336
Type: Neutral
Formula: C14H7F6N3O2
SMILES:   FC(F)(F)c1onc(C)c1-c1onc(n1)-c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H7F6N3O2/c1-6-9(10(24-22-6)14(18,19)20)12-21-11(23-25-12)7-3-2-4-8(5-7)13(15,16)17/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.217 g/mol  logS: -7.26333  SlogP: 5.36062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151369  Sterimol/B1: 1.969  Sterimol/B2: 2.63787  Sterimol/B3: 2.81285
  Sterimol/B4: 7.40011  Sterimol/L: 15.2825 
 
 Surface and Volume Properties
  Accessible surface: 511.145  Positive charged surface: 156.445  Negative charged surface: 354.7  Volume: 259.375
  Hydrophobic surface: 246.751  Hydrophilic surface: 264.394
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.