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ASINEX-ZINC00470048

 MMsINC code: MMs00136361
Type: Neutral
Formula: C11H7Cl2NO2S
SMILES:   Clc1cc(NC(=O)c2sccc2)cc(Cl)c1O
InChI:   InChI=1/C11H7Cl2NO2S/c12-7-4-6(5-8(13)10(7)15)14-11(16)9-2-1-3-17-9/h1-5,15H,(H,14,16)

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Potential Energy
Epot(MMFF94)=53.5741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.154 g/mol  logS: -4.26817  SlogP: 4.0128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137511  Sterimol/B1: 2.59235  Sterimol/B2: 2.92301  Sterimol/B3: 4.48304
  Sterimol/B4: 4.83073  Sterimol/L: 14.2283 
 
 Surface and Volume Properties
  Accessible surface: 461.722  Positive charged surface: 161.617  Negative charged surface: 300.105  Volume: 225.375
  Hydrophobic surface: 379.17  Hydrophilic surface: 82.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.