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APOLLO-ZINC04073059

 MMsINC code: MMs00056733
Type: Neutral
Formula: C6H7Cl2N3O4S2
SMILES:   Clc1c(N)c(S(=O)(=O)N)cc(S(=O)(=O)N)c1Cl
InChI:   InChI=1/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.22117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.177 g/mol  logS: -3.02756  SlogP: -0.1296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821863  Sterimol/B1: 3.48267  Sterimol/B2: 3.51674  Sterimol/B3: 3.56765
  Sterimol/B4: 6.52949  Sterimol/L: 11.7318 
 
 Surface and Volume Properties
  Accessible surface: 425.617  Positive charged surface: 159.403  Negative charged surface: 266.213  Volume: 210.875
  Hydrophobic surface: 141.652  Hydrophilic surface: 283.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00056734
APOLLO-ZINC04073059