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PUBCHEM-ZINC04565889

 MMsINC code: MMs03135048
Type: Neutral
Formula: C15H20N2O8S
SMILES:   S=C=NC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)C
InChI:   InChI=1/C15H20N2O8S/c1-7(18)17-12-14(24-10(4)21)13(23-9(3)20)11(5-22-8(2)19)25-15(12)16-6-26/h11-15H,5H2,1-4H3,(H,17,18)/t11-,12-,13+,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=66.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.397 g/mol  logS: -2.34334  SlogP: -0.2547  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.160501  Sterimol/B1: 4.07518  Sterimol/B2: 4.92399  Sterimol/B3: 5.47912
  Sterimol/B4: 8.15087  Sterimol/L: 15.3192 
 
 Surface and Volume Properties
  Accessible surface: 649.851  Positive charged surface: 357.018  Negative charged surface: 292.832  Volume: 334.125
  Hydrophobic surface: 398.28  Hydrophilic surface: 251.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.