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PUBCHEM-ZINC05487495

 MMsINC code: MMs03283562
Type: Neutral
Formula: C19H10F5N3
SMILES:   Fc1c(C(n2nc3c(n2)cccc3)c2ccccc2)c(F)c(F)c(F)c1F
InChI:   InChI=1/C19H10F5N3/c20-14-13(15(21)17(23)18(24)16(14)22)19(10-6-2-1-3-7-10)27-25-11-8-4-5-9-12(11)26-27/h1-9,19H/t19-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.3 g/mol  logS: -6.06137  SlogP: 4.86  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171514  Sterimol/B1: 2.29549  Sterimol/B2: 3.34629  Sterimol/B3: 4.55738
  Sterimol/B4: 9.6181  Sterimol/L: 13.6087 
 
 Surface and Volume Properties
  Accessible surface: 542.964  Positive charged surface: 256.64  Negative charged surface: 286.324  Volume: 298.125
  Hydrophobic surface: 515.513  Hydrophilic surface: 27.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.