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FDA-ZINC00896924

 MMsINC code: MMs01725334
Type: Neutral
Formula: C7H6ClN3O4S2
SMILES:   Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N
InChI:   InChI=1/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-34.0305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.727 g/mol  logS: -2.94037  SlogP: -0.0609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618685  Sterimol/B1: 2.59689  Sterimol/B2: 3.34061  Sterimol/B3: 3.55231
  Sterimol/B4: 6.14006  Sterimol/L: 12.0824 
 
 Surface and Volume Properties
  Accessible surface: 413.834  Positive charged surface: 173.361  Negative charged surface: 240.473  Volume: 200.375
  Hydrophobic surface: 149.062  Hydrophilic surface: 264.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs01725335
FDA-ZINC00896924