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CHEMBLOCK-ZINC04694410

 MMsINC code: MMs00570227
Type: Neutral
Formula: C14H18N2O4S4
SMILES:   s1cccc1S(=O)(=O)NC1CCCCC1NS(=O)(=O)c1sccc1
InChI:   InChI=1/C14H18N2O4S4/c17-23(18,13-7-3-9-21-13)15-11-5-1-2-6-12(11)16-24(19,20)14-8-4-10-22-14/h3-4,7-12,15-16H,1-2,5-6H2/t11-,12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.1549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.572 g/mol  logS: -3.74112  SlogP: 2.3776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.359413  Sterimol/B1: 3.12099  Sterimol/B2: 3.92385  Sterimol/B3: 5.31806
  Sterimol/B4: 9.94831  Sterimol/L: 11.3646 
 
 Surface and Volume Properties
  Accessible surface: 555.116  Positive charged surface: 247.359  Negative charged surface: 307.757  Volume: 326.875
  Hydrophobic surface: 431.347  Hydrophilic surface: 123.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.