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NCID-ZINC06009878

 MMsINC code: MMs02516592
Type: Neutral
Formula: C15H22O5S
SMILES:   S(C1OC(COC)C(OC)C(OC)C1O)c1ccccc1
InChI:   InChI=1/C15H22O5S/c1-17-9-11-13(18-2)14(19-3)12(16)15(20-11)21-10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=111.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.402 g/mol  logS: -2.80387  SlogP: 1.5409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152657  Sterimol/B1: 2.22496  Sterimol/B2: 2.35813  Sterimol/B3: 5.3121
  Sterimol/B4: 7.62584  Sterimol/L: 14.1936 
 
 Surface and Volume Properties
  Accessible surface: 532.511  Positive charged surface: 396.605  Negative charged surface: 135.906  Volume: 295.125
  Hydrophobic surface: 447.718  Hydrophilic surface: 84.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.