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PUBCHEM-ZINC05511626

 MMsINC code: MMs03292268
Type: Neutral
Formula: C8H21NO6P2
SMILES:   P(O)(O)(=O)CN(CCCCCC)CP(O)(O)=O
InChI:   InChI=1/C8H21NO6P2/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.4386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.205 g/mol  logS: 0.36497  SlogP: -1.0013  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744439  Sterimol/B1: 3.14801  Sterimol/B2: 3.76176  Sterimol/B3: 5.34371
  Sterimol/B4: 5.49365  Sterimol/L: 14.3427 
 
 Surface and Volume Properties
  Accessible surface: 510.329  Positive charged surface: 337.554  Negative charged surface: 172.775  Volume: 246.75
  Hydrophobic surface: 245.672  Hydrophilic surface: 264.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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.