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PUBCHEM-ZINC05515600

 MMsINC code: MMs03294681
Type: Ionized
Formula: C15H39N3O3P+3
SMILES:   P(OC(C[NH+](C)C)C)(OC(C[NH+](C)C)C)OC(C[NH+](C)C)C
InChI:   InChI=1/C15H36N3O3P/c1-13(10-16(4)5)19-22(20-14(2)11-17(6)7)21-15(3)12-18(8)9/h13-15H,10-12H2,1-9H3/p+3/t13-,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=63.4762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.469 g/mol  logS: -0.61755  SlogP: -2.1379  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.147214  Sterimol/B1: 3.15642  Sterimol/B2: 4.2487  Sterimol/B3: 6.28763
  Sterimol/B4: 6.43425  Sterimol/L: 13.7368 
 
 Surface and Volume Properties
  Accessible surface: 644.425  Positive charged surface: 595.209  Negative charged surface: 49.2161  Volume: 375.75
  Hydrophobic surface: 444.748  Hydrophilic surface: 199.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 3
  Chiral centers: 3
 
 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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Parent related molecule:


MMs03294680
PUBCHEM-ZINC05515600