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ASINEX-ZINC00922847

 MMsINC code: MMs00222031
Type: Neutral
Formula: C19H24N2O5S2
SMILES:   S(=O)(=O)(N(Cc1ccccc1)C)c1ccc(S(=O)(=O)NCC2OCCC2)cc1
InChI:   InChI=1/C19H24N2O5S2/c1-21(15-16-6-3-2-4-7-16)28(24,25)19-11-9-18(10-12-19)27(22,23)20-14-17-8-5-13-26-17/h2-4,6-7,9-12,17,20H,5,8,13-15H2,1H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=41.8352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.542 g/mol  logS: -3.59934  SlogP: 2.231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572391  Sterimol/B1: 2.01502  Sterimol/B2: 3.72192  Sterimol/B3: 5.47739
  Sterimol/B4: 6.5699  Sterimol/L: 20.8138 
 
 Surface and Volume Properties
  Accessible surface: 674.385  Positive charged surface: 414.143  Negative charged surface: 260.242  Volume: 375.75
  Hydrophobic surface: 531.445  Hydrophilic surface: 142.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.