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ALFAAESAR-ZINC01737445

 MMsINC code: MMs00022121
Type: Neutral
Formula: C13H28NO4P
SMILES:   P(OCCCC)(OCCCC)(=O)C(=O)N(CC)CC
InChI:   InChI=1/C13H28NO4P/c1-5-9-11-17-19(16,18-12-10-6-2)13(15)14(7-3)8-4/h5-12H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.1161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.344 g/mol  logS: -2.47674  SlogP: 3.2045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145751  Sterimol/B1: 2.10352  Sterimol/B2: 2.99577  Sterimol/B3: 5.5692
  Sterimol/B4: 11.2924  Sterimol/L: 14.7313 
 
 Surface and Volume Properties
  Accessible surface: 583.145  Positive charged surface: 423.927  Negative charged surface: 159.218  Volume: 300.375
  Hydrophobic surface: 432.362  Hydrophilic surface: 150.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.