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ASINEX-ZINC00415547

 MMsINC code: MMs00131109
Type: Neutral
Formula: C14H22N2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C14H22N2O4S2/c1-16(2)22(19,20)14-10-8-13(9-11-14)21(17,18)15-12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.09156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.472 g/mol  logS: -2.60756  SlogP: 1.5479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935214  Sterimol/B1: 2.72514  Sterimol/B2: 3.08172  Sterimol/B3: 5.25345
  Sterimol/B4: 6.83321  Sterimol/L: 15.6953 
 
 Surface and Volume Properties
  Accessible surface: 556.038  Positive charged surface: 368.845  Negative charged surface: 187.193  Volume: 307
  Hydrophobic surface: 423.484  Hydrophilic surface: 132.554
 
 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: no related molecules available.