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OAKWOOD-ZINC02538119

 MMsINC code: MMs02545525
Type: Neutral
Formula: C10H11F3N6
SMILES:   FC(F)(F)c1nc(nc(c1)-c1cn(nc1C)C)NN
InChI:   InChI=1/C10H11F3N6/c1-5-6(4-19(2)18-5)7-3-8(10(11,12)13)16-9(15-7)17-14/h3-4H,14H2,1-2H3,(H,15,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.4662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.234 g/mol  logS: -2.83838  SlogP: 2.16062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222144  Sterimol/B1: 2.22441  Sterimol/B2: 2.43634  Sterimol/B3: 2.79892
  Sterimol/B4: 8.14604  Sterimol/L: 13.5592 
 
 Surface and Volume Properties
  Accessible surface: 470.737  Positive charged surface: 270.619  Negative charged surface: 200.118  Volume: 222
  Hydrophobic surface: 202.972  Hydrophilic surface: 267.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.