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NCID-ZINC01756195

 MMsINC code: MMs02364727
Type: Neutral
Formula: C14H31PS
SMILES:   S=P(CCCCC)(CCCCC)CCCC
InChI:   InChI=1/C14H31PS/c1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.8609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.442 g/mol  logS: -4.51858  SlogP: 5.6464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050332  Sterimol/B1: 3.33371  Sterimol/B2: 3.9856  Sterimol/B3: 4.10496
  Sterimol/B4: 7.81301  Sterimol/L: 17.4332 
 
 Surface and Volume Properties
  Accessible surface: 587.564  Positive charged surface: 434.717  Negative charged surface: 152.847  Volume: 301.375
  Hydrophobic surface: 475.516  Hydrophilic surface: 112.048
 
 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.