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MAYBRIDGE-ZINC04390635

 MMsINC code: MMs02174243
Type: Neutral
Formula: C16H14Cl3NOS
SMILES:   Clc1cc(Cl)cc(\C=N\CCSCc2ccccc2Cl)c1O
InChI:   InChI=1/C16H14Cl3NOS/c17-13-7-12(16(21)15(19)8-13)9-20-5-6-22-10-11-3-1-2-4-14(11)18/h1-4,7-9,21H,5-6,10H2/b20-9+

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Potential Energy
Epot(MMFF94)=74.8644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.719 g/mol  logS: -6.08646  SlogP: 5.9711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268798  Sterimol/B1: 3.26855  Sterimol/B2: 3.77506  Sterimol/B3: 3.92941
  Sterimol/B4: 5.4016  Sterimol/L: 19.3415 
 
 Surface and Volume Properties
  Accessible surface: 622.185  Positive charged surface: 286.383  Negative charged surface: 335.802  Volume: 322.5
  Hydrophobic surface: 545.967  Hydrophilic surface: 76.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.