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MAYBRIDGE-ZINC04336495

 MMsINC code: MMs02168691
Type: Neutral
Formula: C8H17NO5S
SMILES:   S1CCNC1C(O)C(O)C(O)C(O)CO
InChI:   InChI=1/C8H17NO5S/c10-3-4(11)5(12)6(13)7(14)8-9-1-2-15-8/h4-14H,1-3H2/t4-,5-,6+,7+,8-/m0/s1

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Potential Energy
Epot(MMFF94)=78.9611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.292 g/mol  logS: 0.63377  SlogP: -2.9152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831503  Sterimol/B1: 3.14863  Sterimol/B2: 3.46131  Sterimol/B3: 3.50978
  Sterimol/B4: 3.86116  Sterimol/L: 14.1063 
 
 Surface and Volume Properties
  Accessible surface: 428.526  Positive charged surface: 313.868  Negative charged surface: 114.658  Volume: 207.375
  Hydrophobic surface: 192.104  Hydrophilic surface: 236.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.