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CHEMBLOCK-ZINC04653692

 MMsINC code: MMs00567955
Type: Neutral
Formula: C15H13Cl2NO4S
SMILES:   Clc1ccc(cc1)C(NS(=O)(=O)c1ccc(Cl)cc1)CC(O)=O
InChI:   InChI=1/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)14(9-15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=19.2923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.244 g/mol  logS: -4.3371  SlogP: 3.5832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297085  Sterimol/B1: 3.11385  Sterimol/B2: 5.22672  Sterimol/B3: 5.90666
  Sterimol/B4: 5.91501  Sterimol/L: 13.2017 
 
 Surface and Volume Properties
  Accessible surface: 559.008  Positive charged surface: 220.04  Negative charged surface: 338.968  Volume: 301.375
  Hydrophobic surface: 406.774  Hydrophilic surface: 152.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00567956
CHEMBLOCK-ZINC04653692