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CHEMBLOCK-ZINC04745274

 MMsINC code: MMs00576258
Type: Neutral
Formula: C17H13ClFN3O4S
SMILES:   Clc1ccc(S(=O)(=O)Cc2nc(on2)C(=O)NCc2ccccc2F)cc1
InChI:   InChI=1/C17H13ClFN3O4S/c18-12-5-7-13(8-6-12)27(24,25)10-15-21-17(26-22-15)16(23)20-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,20,23)

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Potential Energy
Epot(MMFF94)=73.2144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.825 g/mol  logS: -5.18178  SlogP: 3.2988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295503  Sterimol/B1: 2.37093  Sterimol/B2: 3.42199  Sterimol/B3: 4.5832
  Sterimol/B4: 4.86576  Sterimol/L: 21.8283 
 
 Surface and Volume Properties
  Accessible surface: 646.17  Positive charged surface: 278.56  Negative charged surface: 367.61  Volume: 331.5
  Hydrophobic surface: 474.987  Hydrophilic surface: 171.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.