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NCID-ZINC05063478

 MMsINC code: MMs02435160
Type: Neutral
Formula: C18H28O10S2
SMILES:   S(C(SC)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C)C
InChI:   InChI=1/C18H28O10S2/c1-9(19)24-8-14(25-10(2)20)15(26-11(3)21)16(27-12(4)22)17(28-13(5)23)18(29-6)30-7/h14-18H,8H2,1-7H3/t14-,15-,16+,17+/m1/s1

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Potential Energy
Epot(MMFF94)=92.9842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.544 g/mol  logS: -3.53268  SlogP: 1.3284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202803  Sterimol/B1: 4.43954  Sterimol/B2: 5.27053  Sterimol/B3: 5.91114
  Sterimol/B4: 5.94525  Sterimol/L: 16.159 
 
 Surface and Volume Properties
  Accessible surface: 723.421  Positive charged surface: 429.695  Negative charged surface: 293.726  Volume: 414.625
  Hydrophobic surface: 578.654  Hydrophilic surface: 144.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.