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NCID-ZINC01715193

 MMsINC code: MMs02341117
Type: Neutral
Formula: C20H16N2O4S2
SMILES:   S(=O)(=O)(NNS(=O)(=O)c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2
InChI:   InChI=1/C20H16N2O4S2/c23-27(24,19-11-9-15-5-1-3-7-17(15)13-19)21-22-28(25,26)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-22H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.49 g/mol  logS: -7.28814  SlogP: 3.1648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954558  Sterimol/B1: 3.51993  Sterimol/B2: 3.61385  Sterimol/B3: 5.70809
  Sterimol/B4: 6.35302  Sterimol/L: 18.1546 
 
 Surface and Volume Properties
  Accessible surface: 634.277  Positive charged surface: 274.618  Negative charged surface: 338.873  Volume: 351
  Hydrophobic surface: 489.415  Hydrophilic surface: 144.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.