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MAYBRIDGE-ZINC01031734

 MMsINC code: MMs02149655
Type: Neutral
Formula: C19H12F3N3O3S
SMILES:   S(=O)(=O)(n1nccc1-c1onc(c1)-c1ccccc1)c1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C19H12F3N3O3S/c20-19(21,22)14-6-8-15(9-7-14)29(26,27)25-17(10-11-23-25)18-12-16(24-28-18)13-4-2-1-3-5-13/h1-12H

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Potential Energy
Epot(MMFF94)=139.962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.383 g/mol  logS: -6.22394  SlogP: 4.7724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819358  Sterimol/B1: 3.19309  Sterimol/B2: 3.97284  Sterimol/B3: 4.5082
  Sterimol/B4: 7.97497  Sterimol/L: 16.2956 
 
 Surface and Volume Properties
  Accessible surface: 615.28  Positive charged surface: 249.608  Negative charged surface: 365.671  Volume: 335.25
  Hydrophobic surface: 421.541  Hydrophilic surface: 193.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.