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ENAMINE-ZINC02630537

 MMsINC code: MMs01261880
Type: Neutral
Formula: C14H17NO6S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)COC(=O)C=1OCCOC=1
InChI:   InChI=1/C14H17NO6S/c1-15(2)22(17,18)12-5-3-4-11(8-12)9-21-14(16)13-10-19-6-7-20-13/h3-5,8,10H,6-7,9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.357 g/mol  logS: -2.20885  SlogP: 1.1347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738138  Sterimol/B1: 2.26162  Sterimol/B2: 3.38121  Sterimol/B3: 4.97835
  Sterimol/B4: 7.41469  Sterimol/L: 16.9036 
 
 Surface and Volume Properties
  Accessible surface: 561.204  Positive charged surface: 378.164  Negative charged surface: 183.039  Volume: 286.25
  Hydrophobic surface: 435.717  Hydrophilic surface: 125.487
 
 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.