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FDA-ZINC00002119

 MMsINC code: MMs01724935
Type: Neutral
Formula: C10H14N2O4S2
SMILES:   S(=O)(=O)(N)c1ccc(N2S(=O)(=O)CCCC2)cc1
InChI:   InChI=1/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.364 g/mol  logS: -2.07743  SlogP: 0.264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833304  Sterimol/B1: 2.60506  Sterimol/B2: 2.99571  Sterimol/B3: 4.07956
  Sterimol/B4: 4.92606  Sterimol/L: 13.6803 
 
 Surface and Volume Properties
  Accessible surface: 453.108  Positive charged surface: 245.97  Negative charged surface: 207.138  Volume: 231.125
  Hydrophobic surface: 264.171  Hydrophilic surface: 188.937
 
 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


MMs01724936
FDA-ZINC00002119