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PUBCHEM-ZINC04565674

 MMsINC code: MMs03134911
Type: Neutral
Formula: C14H24N2O9S
SMILES:   S(OC1C(NC(=O)C)C(OC(CNC(=O)C)C1OC(=O)C)OC)(=O)(=O)C
InChI:   InChI=1/C14H24N2O9S/c1-7(17)15-6-10-12(23-9(3)19)13(25-26(5,20)21)11(16-8(2)18)14(22-4)24-10/h10-14H,6H2,1-5H3,(H,15,17)(H,16,18)/t10-,11-,12-,13+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=80.3261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.417 g/mol  logS: -1.04651  SlogP: -1.725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139116  Sterimol/B1: 2.87539  Sterimol/B2: 4.29757  Sterimol/B3: 4.50896
  Sterimol/B4: 8.61863  Sterimol/L: 15.0919 
 
 Surface and Volume Properties
  Accessible surface: 617.847  Positive charged surface: 388.914  Negative charged surface: 228.932  Volume: 334.625
  Hydrophobic surface: 442.702  Hydrophilic surface: 175.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.