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ASINEX-ZINC01379016

 MMsINC code: MMs00251863
Type: Neutral
Formula: C18H13ClFN3O2S
SMILES:   Clc1ccccc1NC(=O)c1sc(nc1C)NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C18H13ClFN3O2S/c1-10-15(17(25)22-14-5-3-2-4-13(14)19)26-18(21-10)23-16(24)11-6-8-12(20)9-7-11/h2-9H,1H3,(H,22,25)(H,21,23,24)

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Potential Energy
Epot(MMFF94)=83.6716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.838 g/mol  logS: -6.29181  SlogP: 4.74862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00771844  Sterimol/B1: 2.2398  Sterimol/B2: 2.8882  Sterimol/B3: 3.03847
  Sterimol/B4: 8.79342  Sterimol/L: 19.8475 
 
 Surface and Volume Properties
  Accessible surface: 614.01  Positive charged surface: 286.672  Negative charged surface: 327.338  Volume: 328.625
  Hydrophobic surface: 522.1  Hydrophilic surface: 91.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.