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PUBCHEM-ZINC05157671

 MMsINC code: MMs03214068
Type: Neutral
Formula: C15H30O3S
SMILES:   S(O)(=O)(=O)CCCCCCCCCCCCCC=C
InChI:   InChI=1/C15H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h2H,1,3-15H2,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=-1.46323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.468 g/mol  logS: -5.97011  SlogP: 4.1757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159174  Sterimol/B1: 2.48323  Sterimol/B2: 2.88129  Sterimol/B3: 2.90984
  Sterimol/B4: 3.60499  Sterimol/L: 24.3286 
 
 Surface and Volume Properties
  Accessible surface: 643.667  Positive charged surface: 453.398  Negative charged surface: 190.27  Volume: 310.375
  Hydrophobic surface: 468.307  Hydrophilic surface: 175.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules


MMs03214069
PUBCHEM-ZINC05157671