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NCID-ZINC05955424

 MMsINC code: MMs02513102
Type: Neutral
Formula: C14H28S2
SMILES:   S(C)C1(SC)CCCCCCCCCCC1
InChI:   InChI=1/C14H28S2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=190.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.51 g/mol  logS: -6.19272  SlogP: 5.7134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237095  Sterimol/B1: 3.85578  Sterimol/B2: 3.9036  Sterimol/B3: 4.38129
  Sterimol/B4: 5.59815  Sterimol/L: 12.3791 
 
 Surface and Volume Properties
  Accessible surface: 457.585  Positive charged surface: 311.255  Negative charged surface: 146.33  Volume: 279.5
  Hydrophobic surface: 421.414  Hydrophilic surface: 36.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.