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CHEMSTAR-ZINC00060926

 MMsINC code: MMs01072605
Type: Neutral
Formula: C10H9F3N2O3
SMILES:   FC(F)(F)C(=O)NNC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C10H9F3N2O3/c1-18-7-4-2-6(3-5-7)8(16)14-15-9(17)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.5874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.187 g/mol  logS: -2.94887  SlogP: 1.4384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112774  Sterimol/B1: 2.49508  Sterimol/B2: 2.6371  Sterimol/B3: 2.64004
  Sterimol/B4: 5.59387  Sterimol/L: 15.2836 
 
 Surface and Volume Properties
  Accessible surface: 446.685  Positive charged surface: 203.677  Negative charged surface: 243.008  Volume: 204.375
  Hydrophobic surface: 221.993  Hydrophilic surface: 224.692
 
 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.