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NANOSIN-ZINC01081540

 MMsINC code: MMs02193457
Type: Ionized
Formula: C7H4ClNO5S-2
SMILES:   Clc1cc(O)c(cc1S(=O)([O-])=[NH])C(=O)[O-]
InChI:   InChI=1/C7H6ClNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2H,(H4,9,10,11,12,13,14)/p-2

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Potential Energy
Epot(MMFF94)=16.4641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.63 g/mol  logS: -2.23807  SlogP: -0.6193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452249  Sterimol/B1: 3.19411  Sterimol/B2: 3.25938  Sterimol/B3: 3.3943
  Sterimol/B4: 5.43182  Sterimol/L: 11.0268 
 
 Surface and Volume Properties
  Accessible surface: 362.633  Positive charged surface: 92.0276  Negative charged surface: 270.605  Volume: 172.125
  Hydrophobic surface: 145.34  Hydrophilic surface: 217.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 5  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:


MMs02193456
NANOSIN-ZINC01081540