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NCID-ZINC01756226

 MMsINC code: MMs02364746
Type: Neutral
Formula: C11H25PS
SMILES:   S=P(CCCC)(CCCC)CCC
InChI:   InChI=1/C11H25PS/c1-4-7-10-12(13,9-6-3)11-8-5-2/h4-11H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.361 g/mol  logS: -2.97292  SlogP: 4.4761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0743774  Sterimol/B1: 3.6783  Sterimol/B2: 3.71619  Sterimol/B3: 3.72275
  Sterimol/B4: 6.19653  Sterimol/L: 15.032 
 
 Surface and Volume Properties
  Accessible surface: 490.969  Positive charged surface: 351.375  Negative charged surface: 139.594  Volume: 248.125
  Hydrophobic surface: 380.614  Hydrophilic surface: 110.355
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.