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BACHEM-ZINC00280904

 MMsINC code: MMs00482093
Type: Neutral
Formula: C12H11NO4S2
SMILES:   S(=O)(=O)(NS(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H

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Potential Energy
Epot(MMFF94)=-18.7488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -3.55245  SlogP: 1.3538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775138  Sterimol/B1: 3.2145  Sterimol/B2: 3.55963  Sterimol/B3: 4.45723
  Sterimol/B4: 4.74555  Sterimol/L: 14.0658 
 
 Surface and Volume Properties
  Accessible surface: 464.567  Positive charged surface: 205.597  Negative charged surface: 258.97  Volume: 243.875
  Hydrophobic surface: 341.813  Hydrophilic surface: 122.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.