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CHEMDIV-ZINC06812356

 MMsINC code: MMs01040078
Type: Neutral
Formula: C11H8F3N3O
SMILES:   FC(F)(F)c1nc(nc(c1)-c1ccccc1O)N
InChI:   InChI=1/C11H8F3N3O/c12-11(13,14)9-5-7(16-10(15)17-9)6-3-1-2-4-8(6)18/h1-5,18H,(H2,15,16,17)

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Potential Energy
Epot(MMFF94)=41.6873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.199 g/mol  logS: -3.85306  SlogP: 2.7617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159294  Sterimol/B1: 2.23192  Sterimol/B2: 2.75152  Sterimol/B3: 2.91023
  Sterimol/B4: 6.43407  Sterimol/L: 12.6361 
 
 Surface and Volume Properties
  Accessible surface: 425.642  Positive charged surface: 195.704  Negative charged surface: 224.402  Volume: 201.5
  Hydrophobic surface: 182.192  Hydrophilic surface: 243.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.