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PUBCHEM-ZINC04565536

 MMsINC code: MMs03134832
Type: Neutral
Formula: C24H47N4O2PS
SMILES:   S(=O)([O-])(=N[P+](N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC)c1ccccc1
InChI:   InChI=1/C24H47N4O2PS/c1-7-18-26(19-8-2)31(27(20-9-3)21-10-4,28(22-11-5)23-12-6)25-32(29,30)24-16-14-13-15-17-24/h13-17H,7-12,18-23H2,1-6H3

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Potential Energy
Epot(MMFF94)=7.84746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.706 g/mol  logS: -3.66512  SlogP: 6.7926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.533485  Sterimol/B1: 3.0119  Sterimol/B2: 5.83342  Sterimol/B3: 6.60794
  Sterimol/B4: 7.55362  Sterimol/L: 15.2232 
 
 Surface and Volume Properties
  Accessible surface: 763.602  Positive charged surface: 504.05  Negative charged surface: 259.552  Volume: 500.75
  Hydrophobic surface: 616.178  Hydrophilic surface: 147.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 3  Basic groups: 1
  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.