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CHEMBRIDGE-ZINC01162288

 MMsINC code: MMs00676378
Type: Neutral
Formula: C20H14F3N3O3
SMILES:   FC(F)(F)c1noc(c1-c1cn(nc1)-c1ccccc1)-c1ccc(OC)cc1O
InChI:   InChI=1/C20H14F3N3O3/c1-28-14-7-8-15(16(27)9-14)18-17(19(25-29-18)20(21,22)23)12-10-24-26(11-12)13-5-3-2-4-6-13/h2-11,27H,1H3

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Potential Energy
Epot(MMFF94)=141.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.344 g/mol  logS: -5.9046  SlogP: 5.2388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742341  Sterimol/B1: 2.36135  Sterimol/B2: 3.7634  Sterimol/B3: 4.01079
  Sterimol/B4: 11.1069  Sterimol/L: 15.3999 
 
 Surface and Volume Properties
  Accessible surface: 615.982  Positive charged surface: 317.525  Negative charged surface: 296.495  Volume: 334.625
  Hydrophobic surface: 425.949  Hydrophilic surface: 190.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.