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PUBCHEM-ZINC02036689

 MMsINC code: MMs02861396
Type: Neutral
Formula: C15H24NO5P
SMILES:   P(OCC)(OCC)(=O)C(N(C(OCC)=O)C)c1ccccc1
InChI:   InChI=1/C15H24NO5P/c1-5-19-15(17)16(4)14(13-11-9-8-10-12-13)22(18,20-6-2)21-7-3/h8-12,14H,5-7H2,1-4H3/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.6456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.333 g/mol  logS: -2.38504  SlogP: 3.0649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128208  Sterimol/B1: 3.2425  Sterimol/B2: 4.15328  Sterimol/B3: 5.34414
  Sterimol/B4: 8.37059  Sterimol/L: 15.8442 
 
 Surface and Volume Properties
  Accessible surface: 608.938  Positive charged surface: 425.045  Negative charged surface: 183.893  Volume: 318
  Hydrophobic surface: 486.519  Hydrophilic surface: 122.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.