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SIAL-ZINC04557112

 MMsINC code: MMs03922924
Type: Neutral
Formula: C7H14O5S
SMILES:   S(C)C1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.9415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.25 g/mol  logS: 0.05553  SlogP: -1.8507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230281  Sterimol/B1: 3.27986  Sterimol/B2: 3.87495  Sterimol/B3: 4.40432
  Sterimol/B4: 4.77302  Sterimol/L: 11.2711 
 
 Surface and Volume Properties
  Accessible surface: 374.855  Positive charged surface: 264.78  Negative charged surface: 110.075  Volume: 178
  Hydrophobic surface: 172.58  Hydrophilic surface: 202.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.