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NCID-ZINC04501366

 MMsINC code: MMs02388788
Type: Neutral
Formula: C11H24OS
SMILES:   SCCCCCCCCCCCO
InChI:   InChI=1/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.95611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.378 g/mol  logS: -3.75964  SlogP: 3.4194  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0225217  Sterimol/B1: 2.34606  Sterimol/B2: 2.37505  Sterimol/B3: 2.37583
  Sterimol/B4: 3.00035  Sterimol/L: 19.5886 
 
 Surface and Volume Properties
  Accessible surface: 504.837  Positive charged surface: 393.669  Negative charged surface: 111.167  Volume: 235
  Hydrophobic surface: 395.21  Hydrophilic surface: 109.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.