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NCID-ZINC04429795

 MMsINC code: MMs02387749
Type: Neutral
Formula: C15H30O4S
SMILES:   S(=O)(=O)(CCCCCCCCCCC(O)=O)CCCC
InChI:   InChI=1/C15H30O4S/c1-2-3-13-20(18,19)14-11-9-7-5-4-6-8-10-12-15(16)17/h2-14H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=-1.14859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.467 g/mol  logS: -3.80508  SlogP: 3.7968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130698  Sterimol/B1: 3.03564  Sterimol/B2: 3.03592  Sterimol/B3: 3.31013
  Sterimol/B4: 3.38239  Sterimol/L: 24.6925 
 
 Surface and Volume Properties
  Accessible surface: 642.93  Positive charged surface: 473.059  Negative charged surface: 169.87  Volume: 317.375
  Hydrophobic surface: 463.846  Hydrophilic surface: 179.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02387750
NCID-ZINC04429795