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NCID-ZINC06009875

 MMsINC code: MMs02516589
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+/m1/s1

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Potential Energy
Epot(MMFF94)=110.36 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: 0.119011  Sterimol/B1: 2.13784  Sterimol/B2: 3.53319  Sterimol/B3: 4.01989
  Sterimol/B4: 8.98386  Sterimol/L: 14.3632 
 
 Surface and Volume Properties
  Accessible surface: 554.976  Positive charged surface: 432.039  Negative charged surface: 122.937  Volume: 296.375
  Hydrophobic surface: 488.904  Hydrophilic surface: 66.072
 
 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.