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MAYBRIDGE-ZINC01040535

 MMsINC code: MMs02153772
Type: Neutral
Formula: C15H9Cl2NOS
SMILES:   Clc1ccc(NC(=O)c2c3cc(Cl)ccc3sc2)cc1
InChI:   InChI=1/C15H9Cl2NOS/c16-9-1-4-11(5-2-9)18-15(19)13-8-20-14-6-3-10(17)7-12(13)14/h1-8H,(H,18,19)

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Potential Energy
Epot(MMFF94)=58.5371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.215 g/mol  logS: -6.32388  SlogP: 5.4604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0164579  Sterimol/B1: 2.097  Sterimol/B2: 3.26047  Sterimol/B3: 4.53764
  Sterimol/B4: 5.72672  Sterimol/L: 16.1053 
 
 Surface and Volume Properties
  Accessible surface: 513.813  Positive charged surface: 172.135  Negative charged surface: 336.537  Volume: 270.25
  Hydrophobic surface: 483.501  Hydrophilic surface: 30.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.