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PUBCHEM-ZINC06379468

 MMsINC code: MMs03692753
Type: Neutral
Formula: C10H19NO4S
SMILES:   S(CCCC)CCN(CC(O)=O)CC(O)=O
InChI:   InChI=1/C10H19NO4S/c1-2-3-5-16-6-4-11(7-9(12)13)8-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=66.7373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.331 g/mol  logS: -1.51619  SlogP: 0.9909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489062  Sterimol/B1: 2.92756  Sterimol/B2: 3.41421  Sterimol/B3: 3.48629
  Sterimol/B4: 5.13238  Sterimol/L: 16.8554 
 
 Surface and Volume Properties
  Accessible surface: 498.77  Positive charged surface: 348.683  Negative charged surface: 150.087  Volume: 234.5
  Hydrophobic surface: 266.365  Hydrophilic surface: 232.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03692754
PUBCHEM-ZINC06379468