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IBS-ZINC02419649

 MMsINC code: MMs01858006
Type: Neutral
Formula: C13H21NO5S
SMILES:   S(=O)(=O)(N(CCOC)CCOC)c1ccc(OC)cc1
InChI:   InChI=1/C13H21NO5S/c1-17-10-8-14(9-11-18-2)20(15,16)13-6-4-12(19-3)5-7-13/h4-7H,8-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.379 g/mol  logS: -1.6341  SlogP: 0.9787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871456  Sterimol/B1: 2.69551  Sterimol/B2: 2.9832  Sterimol/B3: 4.61342
  Sterimol/B4: 6.77191  Sterimol/L: 15.5316 
 
 Surface and Volume Properties
  Accessible surface: 506.392  Positive charged surface: 406.061  Negative charged surface: 100.331  Volume: 281.25
  Hydrophobic surface: 449.086  Hydrophilic surface: 57.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.