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CHEMDIV-ZINC02886131

 MMsINC code: MMs00888594
Type: Neutral
Formula: C15H12ClNO3S2
SMILES:   Clc1ccc(N(C(=O)c2sccc2)C2C=CS(=O)(=O)C2)cc1
InChI:   InChI=1/C15H12ClNO3S2/c16-11-3-5-12(6-4-11)17(13-7-9-22(19,20)10-13)15(18)14-2-1-8-21-14/h1-9,13H,10H2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=151.463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.85 g/mol  logS: -4.32242  SlogP: 3.359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101543  Sterimol/B1: 3.39262  Sterimol/B2: 3.47961  Sterimol/B3: 3.90808
  Sterimol/B4: 7.20913  Sterimol/L: 14.8023 
 
 Surface and Volume Properties
  Accessible surface: 504.595  Positive charged surface: 198.668  Negative charged surface: 305.927  Volume: 282.375
  Hydrophobic surface: 399.634  Hydrophilic surface: 104.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.