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ASINEX-ZINC00558249

 MMsINC code: MMs00139480
Type: Neutral
Formula: C14H8ClFN2OS
SMILES:   Clc1ccc(cc1)C(=O)Nc1sc2cc(F)ccc2n1
InChI:   InChI=1/C14H8ClFN2OS/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(16)7-12(11)20-14/h1-7H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=51.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.748 g/mol  logS: -5.67099  SlogP: 4.3411  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.31077e-07  Sterimol/B1: 2.17766  Sterimol/B2: 2.19234  Sterimol/B3: 2.59847
  Sterimol/B4: 5.29622  Sterimol/L: 17.5871 
 
 Surface and Volume Properties
  Accessible surface: 493.978  Positive charged surface: 202.697  Negative charged surface: 291.281  Volume: 252
  Hydrophobic surface: 419.38  Hydrophilic surface: 74.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.