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SIAL-ZINC04530640

 MMsINC code: MMs03917625
Type: Neutral
Formula: C13H24PS+
SMILES:   S([P+](C)(C)C12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C13H24PS/c1-14(2,15-3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1/t10-,11+,12-,13-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.375 g/mol  logS: -3.05164  SlogP: 4.5104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27855  Sterimol/B1: 2.36846  Sterimol/B2: 2.62251  Sterimol/B3: 5.24077
  Sterimol/B4: 5.35862  Sterimol/L: 11.7251 
 
 Surface and Volume Properties
  Accessible surface: 432.557  Positive charged surface: 307.729  Negative charged surface: 124.828  Volume: 251.375
  Hydrophobic surface: 371.066  Hydrophilic surface: 61.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.