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ASINEX-ZINC00824910

 MMsINC code: MMs00182503
Type: Neutral
Formula: C13H10Cl4N2OS
SMILES:   Clc1ccc(NC(NC(=O)c2sccc2)C(Cl)(Cl)Cl)cc1
InChI:   InChI=1/C13H10Cl4N2OS/c14-8-3-5-9(6-4-8)18-12(13(15,16)17)19-11(20)10-2-1-7-21-10/h1-7,12,18H,(H,19,20)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=61.9418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.114 g/mol  logS: -5.95126  SlogP: 5.3596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122414  Sterimol/B1: 3.43437  Sterimol/B2: 3.74354  Sterimol/B3: 4.16593
  Sterimol/B4: 7.60753  Sterimol/L: 14.5391 
 
 Surface and Volume Properties
  Accessible surface: 555.185  Positive charged surface: 148.485  Negative charged surface: 406.699  Volume: 297.875
  Hydrophobic surface: 366.6  Hydrophilic surface: 188.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.