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PUBCHEM-ZINC02584003

 MMsINC code: MMs02904479
Type: Neutral
Formula: C6H7ClN2O3S
SMILES:   Clc1cc(N)c(O)cc1S(=O)(=O)N
InChI:   InChI=1/C6H7ClN2O3S/c7-3-1-4(8)5(10)2-6(3)13(9,11)12/h1-2,10H,8H2,(H2,9,11,12)

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Potential Energy
Epot(MMFF94)=9.46046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.652 g/mol  logS: -1.70471  SlogP: 0.2752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713108  Sterimol/B1: 3.10571  Sterimol/B2: 3.12052  Sterimol/B3: 3.28009
  Sterimol/B4: 5.18597  Sterimol/L: 10.7116 
 
 Surface and Volume Properties
  Accessible surface: 361.286  Positive charged surface: 178.847  Negative charged surface: 182.439  Volume: 162.875
  Hydrophobic surface: 135.148  Hydrophilic surface: 226.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02904480
PUBCHEM-ZINC02584003