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APOLLO-ZINC02570632

 MMsINC code: MMs00054640
Type: Neutral
Formula: C16H9ClF3N3OS
SMILES:   Clc1ncccc1C(=O)Nc1sc(-c2ccccc2)c(n1)C(F)(F)F
InChI:   InChI=1/C16H9ClF3N3OS/c17-13-10(7-4-8-21-13)14(24)23-15-22-12(16(18,19)20)11(25-15)9-5-2-1-3-6-9/h1-8H,(H,22,23,24)

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Potential Energy
Epot(MMFF94)=94.5098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.781 g/mol  logS: -6.2183  SlogP: 5.4411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217459  Sterimol/B1: 2.84685  Sterimol/B2: 2.91846  Sterimol/B3: 3.09358
  Sterimol/B4: 5.66562  Sterimol/L: 18.157 
 
 Surface and Volume Properties
  Accessible surface: 559.955  Positive charged surface: 233.903  Negative charged surface: 326.051  Volume: 297.875
  Hydrophobic surface: 401.522  Hydrophilic surface: 158.433
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.