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ENAMINE-ZINC01696141

 MMsINC code: MMs01243437
Type: Neutral
Formula: C16H19NO4S2
SMILES:   S(=O)(=O)(N(S(=O)(=O)c1ccccc1)CCCC)c1ccccc1
InChI:   InChI=1/C16H19NO4S2/c1-2-3-14-17(22(18,19)15-10-6-4-7-11-15)23(20,21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.84157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.463 g/mol  logS: -4.20802  SlogP: 2.8663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885861  Sterimol/B1: 2.49699  Sterimol/B2: 3.25911  Sterimol/B3: 4.80001
  Sterimol/B4: 9.19846  Sterimol/L: 14.4769 
 
 Surface and Volume Properties
  Accessible surface: 546.393  Positive charged surface: 292.608  Negative charged surface: 253.784  Volume: 314.375
  Hydrophobic surface: 442.416  Hydrophilic surface: 103.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.