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PUBCHEM-ZINC06381309

 MMsINC code: MMs03695639
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)CCC
InChI:   InChI=1/C8H20NO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h8H,4-7,9H2,1-3H3/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.1514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.88209  SlogP: 1.2672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899318  Sterimol/B1: 3.26988  Sterimol/B2: 3.34822  Sterimol/B3: 5.28993
  Sterimol/B4: 5.49843  Sterimol/L: 12.8596 
 
 Surface and Volume Properties
  Accessible surface: 443.701  Positive charged surface: 331.208  Negative charged surface: 112.493  Volume: 210.375
  Hydrophobic surface: 290.73  Hydrophilic surface: 152.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.