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PUBCHEM-ZINC05524811

 MMsINC code: MMs03297213
Type: Neutral
Formula: C8H10Cl3N3OS2
SMILES:   ClC(Cl)(Cl)C(Sc1sccn1)NC(=O)N(C)C
InChI:   InChI=1/C8H10Cl3N3OS2/c1-14(2)6(15)13-5(8(9,10)11)17-7-12-3-4-16-7/h3-5H,1-2H3,(H,13,15)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=26.6401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.679 g/mol  logS: -4.07394  SlogP: 3.6226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124752  Sterimol/B1: 2.25782  Sterimol/B2: 3.46498  Sterimol/B3: 3.95163
  Sterimol/B4: 8.09495  Sterimol/L: 12.0445 
 
 Surface and Volume Properties
  Accessible surface: 487.681  Positive charged surface: 232.744  Negative charged surface: 254.937  Volume: 253.375
  Hydrophobic surface: 268.433  Hydrophilic surface: 219.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.