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ENAMINE-ZINC00056862

 MMsINC code: MMs01222673
Type: Neutral
Formula: C7H4F3N3O
SMILES:   FC(F)(F)c1cc2n(O)nnc2cc1
InChI:   InChI=1/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.123 g/mol  logS: -1.82767  SlogP: 1.9989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372256  Sterimol/B1: 2.53629  Sterimol/B2: 2.73677  Sterimol/B3: 3.28242
  Sterimol/B4: 4.79739  Sterimol/L: 10.2628 
 
 Surface and Volume Properties
  Accessible surface: 339.232  Positive charged surface: 98.6063  Negative charged surface: 240.626  Volume: 144.375
  Hydrophobic surface: 108.262  Hydrophilic surface: 230.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.