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ASINEX-ZINC01683624

 MMsINC code: MMs00255723
Type: Neutral
Formula: C6H6ClNO4S
SMILES:   Clc1cc(N)c(O)c(S(O)(=O)=O)c1
InChI:   InChI=1/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=26.3248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.636 g/mol  logS: -1.52817  SlogP: 0.3088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444453  Sterimol/B1: 2.56627  Sterimol/B2: 3.2861  Sterimol/B3: 4.60882
  Sterimol/B4: 5.01864  Sterimol/L: 10.473 
 
 Surface and Volume Properties
  Accessible surface: 364.356  Positive charged surface: 154.926  Negative charged surface: 209.43  Volume: 158.5
  Hydrophobic surface: 153.449  Hydrophilic surface: 210.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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


MMs00255724
ASINEX-ZINC01683624