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NANOSIN-ZINC00243933

 MMsINC code: MMs02191286
Type: Neutral
Formula: C6H11NO3S
SMILES:   S1CC(NC(OC)=O)C(O)C1
InChI:   InChI=1/C6H11NO3S/c1-10-6(9)7-4-2-11-3-5(4)8/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=18.3902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.224 g/mol  logS: -0.77811  SlogP: -0.1813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101277  Sterimol/B1: 2.89359  Sterimol/B2: 3.25254  Sterimol/B3: 3.51134
  Sterimol/B4: 4.33685  Sterimol/L: 11.5182 
 
 Surface and Volume Properties
  Accessible surface: 358.077  Positive charged surface: 264.593  Negative charged surface: 93.4843  Volume: 153.75
  Hydrophobic surface: 208.843  Hydrophilic surface: 149.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.