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NCID-ZINC01707887

 MMsINC code: MMs02335955
Type: Neutral
Formula: C10H22OS
SMILES:   S(CCCCCC)CCCCO
InChI:   InChI=1/C10H22OS/c1-2-3-4-6-9-12-10-7-5-8-11/h11H,2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.39709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.351 g/mol  logS: -2.85806  SlogP: 3.0724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214875  Sterimol/B1: 2.37526  Sterimol/B2: 2.37597  Sterimol/B3: 2.74477
  Sterimol/B4: 2.93196  Sterimol/L: 18.5397 
 
 Surface and Volume Properties
  Accessible surface: 480.517  Positive charged surface: 379.864  Negative charged surface: 100.652  Volume: 218.375
  Hydrophobic surface: 370.217  Hydrophilic surface: 110.3
 
 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.