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PUBCHEM-ZINC03160548

 MMsINC code: MMs03003298
Type: Neutral
Formula: C9H20NO5P
SMILES:   P(OCC)(OCC)(=O)CNCC(OCC)=O
InChI:   InChI=1/C9H20NO5P/c1-4-13-9(11)7-10-8-16(12,14-5-2)15-6-3/h10H,4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.0491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.235 g/mol  logS: -0.47362  SlogP: 0.2925  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0489775  Sterimol/B1: 2.63343  Sterimol/B2: 4.14647  Sterimol/B3: 4.8668
  Sterimol/B4: 5.15776  Sterimol/L: 16.5625 
 
 Surface and Volume Properties
  Accessible surface: 519.358  Positive charged surface: 379.534  Negative charged surface: 139.824  Volume: 240.25
  Hydrophobic surface: 357.303  Hydrophilic surface: 162.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.