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PUBCHEM-ZINC02093819

 MMsINC code: MMs02872149
Type: Neutral
Formula: C15H24N2O5S
SMILES:   S(=O)(=O)(NC(C)C)c1ccc(OCC(=O)NCCCOC)cc1
InChI:   InChI=1/C15H24N2O5S/c1-12(2)17-23(19,20)14-7-5-13(6-8-14)22-11-15(18)16-9-4-10-21-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.7061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.432 g/mol  logS: -2.44464  SlogP: 0.9048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313216  Sterimol/B1: 2.53236  Sterimol/B2: 3.44224  Sterimol/B3: 4.34695
  Sterimol/B4: 6.77753  Sterimol/L: 20.8699 
 
 Surface and Volume Properties
  Accessible surface: 642.665  Positive charged surface: 445.213  Negative charged surface: 197.452  Volume: 323
  Hydrophobic surface: 455.337  Hydrophilic surface: 187.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.