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PUBCHEM-ZINC05298302

 MMsINC code: MMs03235259
Type: Neutral
Formula: C11H21NO6S
SMILES:   S=C(OCCCC)NC1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C11H21NO6S/c1-2-3-4-17-11(19)12-10-9(16)8(15)7(14)6(5-13)18-10/h6-10,13-16H,2-5H2,1H3,(H,12,19)/t6-,7+,8+,9+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=78.4542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.356 g/mol  logS: -1.48114  SlogP: -1.5225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498157  Sterimol/B1: 2.72044  Sterimol/B2: 4.58985  Sterimol/B3: 4.68874
  Sterimol/B4: 5.55351  Sterimol/L: 16.2133 
 
 Surface and Volume Properties
  Accessible surface: 537.63  Positive charged surface: 392.12  Negative charged surface: 145.509  Volume: 263.25
  Hydrophobic surface: 268.938  Hydrophilic surface: 268.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.