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NCID-ZINC01635785

 MMsINC code: MMs02279456
Type: Ionized
Formula: C6H4Cl2NO3S-
SMILES:   Clc1cc(Cl)cc(S(=O)([O-])=[NH])c1O
InChI:   InChI=1/C6H4Cl2NO3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2H,(H2-,9,10,11,12)/q-1

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Potential Energy
Epot(MMFF94)=9.28416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.074 g/mol  logS: -2.74251  SlogP: 1.6706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100883  Sterimol/B1: 3.20809  Sterimol/B2: 3.22958  Sterimol/B3: 3.35406
  Sterimol/B4: 6.09451  Sterimol/L: 9.67635 
 
 Surface and Volume Properties
  Accessible surface: 364.694  Positive charged surface: 90.4021  Negative charged surface: 274.292  Volume: 164.75
  Hydrophobic surface: 241.534  Hydrophilic surface: 123.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 3  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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Parent related molecule:


MMs02279455
NCID-ZINC01635785