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ENAMINE-ZINC03263233

 MMsINC code: MMs01337978
Type: Neutral
Formula: C15H9ClF3N3OS2
SMILES:   Clc1cc(cnc1NC(=O)CSc1sc2c(n1)cccc2)C(F)(F)F
InChI:   InChI=1/C15H9ClF3N3OS2/c16-9-5-8(15(17,18)19)6-20-13(9)22-12(23)7-24-14-21-10-3-1-2-4-11(10)25-14/h1-6H,7H2,(H,20,22,23)

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Potential Energy
Epot(MMFF94)=70.5847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.836 g/mol  logS: -6.53352  SlogP: 5.4058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00424435  Sterimol/B1: 2.3744  Sterimol/B2: 2.8159  Sterimol/B3: 3.38999
  Sterimol/B4: 5.68617  Sterimol/L: 19.8252 
 
 Surface and Volume Properties
  Accessible surface: 597.598  Positive charged surface: 232.635  Negative charged surface: 364.964  Volume: 307.875
  Hydrophobic surface: 366.69  Hydrophilic surface: 230.908
 
 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.