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CHEMDIV-ZINC06748111

 MMsINC code: MMs01010432
Type: Neutral
Formula: C15H12ClFN4OS2
SMILES:   Clc1cnc(SC(C)C)nc1C(=O)Nc1sc2cc(F)ccc2n1
InChI:   InChI=1/C15H12ClFN4OS2/c1-7(2)23-14-18-6-9(16)12(20-14)13(22)21-15-19-10-4-3-8(17)5-11(10)24-15/h3-7H,1-2H3,(H,19,21,22)

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Potential Energy
Epot(MMFF94)=58.8456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.871 g/mol  logS: -7.00433  SlogP: 4.6316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120186  Sterimol/B1: 2.4036  Sterimol/B2: 2.40405  Sterimol/B3: 3.769
  Sterimol/B4: 8.00937  Sterimol/L: 19.1592 
 
 Surface and Volume Properties
  Accessible surface: 586.927  Positive charged surface: 303.319  Negative charged surface: 283.608  Volume: 310.625
  Hydrophobic surface: 416.116  Hydrophilic surface: 170.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.