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SIAL-ZINC04501367

 MMsINC code: MMs03916170
Type: Neutral
Formula: C16H32O2S
SMILES:   SCCCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=-1.04592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.496 g/mol  logS: -6.21427  SlogP: 5.4622  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0118956  Sterimol/B1: 2.37504  Sterimol/B2: 2.37593  Sterimol/B3: 2.82708
  Sterimol/B4: 3.09361  Sterimol/L: 25.804 
 
 Surface and Volume Properties
  Accessible surface: 655.493  Positive charged surface: 498.604  Negative charged surface: 156.89  Volume: 321.25
  Hydrophobic surface: 502.263  Hydrophilic surface: 153.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03916171
SIAL-ZINC04501367