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NCID-ZINC05023582

 MMsINC code: MMs02429272
Type: Neutral
Formula: C10H18O4S
SMILES:   S(CC1OC2OC(OC2C1O)(C)C)CC
InChI:   InChI=1/C10H18O4S/c1-4-15-5-6-7(11)8-9(12-6)14-10(2,3)13-8/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m0/s1

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Potential Energy
Epot(MMFF94)=76.8791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.316 g/mol  logS: -2.0238  SlogP: 0.9768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691203  Sterimol/B1: 2.50378  Sterimol/B2: 2.94859  Sterimol/B3: 3.70381
  Sterimol/B4: 5.9143  Sterimol/L: 14.7789 
 
 Surface and Volume Properties
  Accessible surface: 457.513  Positive charged surface: 315.113  Negative charged surface: 142.4  Volume: 218.5
  Hydrophobic surface: 271.848  Hydrophilic surface: 185.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.