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PUBCHEM-ZINC05167436

 MMsINC code: MMs03219663
Type: Neutral
Formula: C14H23NO5S
SMILES:   S(CC(NC(=O)C)C(OC)=O)C1CCCCC1OC(=O)C
InChI:   InChI=1/C14H23NO5S/c1-9(16)15-11(14(18)19-3)8-21-13-7-5-4-6-12(13)20-10(2)17/h11-13H,4-8H2,1-3H3,(H,15,16)/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=61.7816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.406 g/mol  logS: -2.54197  SlogP: 1.2716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154318  Sterimol/B1: 2.06203  Sterimol/B2: 2.54588  Sterimol/B3: 5.97253
  Sterimol/B4: 8.2296  Sterimol/L: 14.5746 
 
 Surface and Volume Properties
  Accessible surface: 578.33  Positive charged surface: 416.295  Negative charged surface: 162.035  Volume: 299.25
  Hydrophobic surface: 462.147  Hydrophilic surface: 116.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.