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NCID-ZINC06009883

 MMsINC code: MMs02516597
Type: Neutral
Formula: C15H22O7S
SMILES:   S(=O)(=O)(C1OC(COC)C(OC)C(OC)C1O)c1ccccc1
InChI:   InChI=1/C15H22O7S/c1-19-9-11-13(20-2)14(21-3)12(16)15(22-11)23(17,18)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)=122.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.4 g/mol  logS: -1.92316  SlogP: 0.2225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218904  Sterimol/B1: 2.21244  Sterimol/B2: 2.30153  Sterimol/B3: 5.63331
  Sterimol/B4: 7.97791  Sterimol/L: 14.1043 
 
 Surface and Volume Properties
  Accessible surface: 561.213  Positive charged surface: 412.018  Negative charged surface: 149.195  Volume: 307.5
  Hydrophobic surface: 462.292  Hydrophilic surface: 98.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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


MMs02516598
NCID-ZINC06009883