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ENAMINE-ZINC05018655

 MMsINC code: MMs01575600
Type: Neutral
Formula: C11H12N2O4S
SMILES:   S(CC(=O)NC(=O)N)c1cc2OCCOc2cc1
InChI:   InChI=1/C11H12N2O4S/c12-11(15)13-10(14)6-18-7-1-2-8-9(5-7)17-4-3-16-8/h1-2,5H,3-4,6H2,(H3,12,13,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.293 g/mol  logS: -3.16297  SlogP: 0.7448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104299  Sterimol/B1: 2.85198  Sterimol/B2: 2.94271  Sterimol/B3: 3.22296
  Sterimol/B4: 4.67034  Sterimol/L: 16.8939 
 
 Surface and Volume Properties
  Accessible surface: 465.89  Positive charged surface: 306.805  Negative charged surface: 159.085  Volume: 229.625
  Hydrophobic surface: 252.298  Hydrophilic surface: 213.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.