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ASINEX-ZINC01368264

 MMsINC code: MMs00249896
Type: Neutral
Formula: C19H30N2O4S2
SMILES:   S(=O)(=O)(N1C(CCCC1C)C)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C19H30N2O4S2/c1-15-7-6-8-16(2)21(15)27(24,25)19-13-11-18(12-14-19)26(22,23)20-17-9-4-3-5-10-17/h11-17,20H,3-10H2,1-2H3/t15-,16-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.6498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.591 g/mol  logS: -4.01613  SlogP: 3.2492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818239  Sterimol/B1: 3.09507  Sterimol/B2: 3.17113  Sterimol/B3: 5.89493
  Sterimol/B4: 6.08514  Sterimol/L: 17.8591 
 
 Surface and Volume Properties
  Accessible surface: 625.433  Positive charged surface: 399.967  Negative charged surface: 225.466  Volume: 378
  Hydrophobic surface: 461.915  Hydrophilic surface: 163.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.