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DSC-ZINC02560509

 MMsINC code: MMs01221731
Type: Neutral
Formula: C12H27PS
SMILES:   S=P(CCCC)(CCCC)CCCC
InChI:   InChI=1/C12H27PS/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0193 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: 0.0761023  Sterimol/B1: 2.5042  Sterimol/B2: 3.50654  Sterimol/B3: 3.95322
  Sterimol/B4: 8.73598  Sterimol/L: 14.8514 
 
 Surface and Volume Properties
  Accessible surface: 523.917  Positive charged surface: 376.312  Negative charged surface: 147.605  Volume: 266.5
  Hydrophobic surface: 411.931  Hydrophilic surface: 111.986
 
 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.