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NCID-ZINC05063476

 MMsINC code: MMs02435159
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-/m0/s1

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Potential Energy
Epot(MMFF94)=89.3842 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: 0.406942  Sterimol/B1: 3.96727  Sterimol/B2: 5.06673  Sterimol/B3: 6.91181
  Sterimol/B4: 7.26672  Sterimol/L: 14.8382 
 
 Surface and Volume Properties
  Accessible surface: 717.989  Positive charged surface: 422.193  Negative charged surface: 295.796  Volume: 412.875
  Hydrophobic surface: 562.168  Hydrophilic surface: 155.821
 
 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.