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NCID-ZINC01756228

 MMsINC code: MMs02364747
Type: Neutral
Formula: C12H27PS
SMILES:   S=P(CCCCCC)(CCC)CCC
InChI:   InChI=1/C12H27PS/c1-4-7-8-9-12-13(14,10-5-2)11-6-3/h4-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.8884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.388 g/mol  logS: -3.48814  SlogP: 4.8662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058965  Sterimol/B1: 3.35218  Sterimol/B2: 4.09023  Sterimol/B3: 5.71563
  Sterimol/B4: 5.79241  Sterimol/L: 15.129 
 
 Surface and Volume Properties
  Accessible surface: 524.918  Positive charged surface: 380.69  Negative charged surface: 144.228  Volume: 265.5
  Hydrophobic surface: 414.571  Hydrophilic surface: 110.347
 
 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.