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PUBCHEM-ZINC05829988

 MMsINC code: MMs03404892
Type: Neutral
Formula: C6H13NO4S
SMILES:   S1C(CO)C(O)C(O)C(O)C1N
InChI:   InChI=1/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1

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Potential Energy
Epot(MMFF94)=53.8936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.239 g/mol  logS: 0.50681  SlogP: -2.5384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283109  Sterimol/B1: 2.85031  Sterimol/B2: 3.19373  Sterimol/B3: 4.13441
  Sterimol/B4: 4.93516  Sterimol/L: 9.35732 
 
 Surface and Volume Properties
  Accessible surface: 355.424  Positive charged surface: 269.032  Negative charged surface: 86.392  Volume: 164.25
  Hydrophobic surface: 106.242  Hydrophilic surface: 249.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.