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PUBCHEM-ZINC05462764

 MMsINC code: MMs03276857
Type: Neutral
Formula: C9H19N2O5P
SMILES:   P(OCC)(OCC)(=O)C(NC=O)C(=O)N(C)C
InChI:   InChI=1/C9H19N2O5P/c1-5-15-17(14,16-6-2)8(10-7-12)9(13)11(3)4/h7-8H,5-6H2,1-4H3,(H,10,12)/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.8274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.234 g/mol  logS: -0.28196  SlogP: -0.6574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09697  Sterimol/B1: 3.1425  Sterimol/B2: 3.24573  Sterimol/B3: 3.94958
  Sterimol/B4: 7.773  Sterimol/L: 12.9673 
 
 Surface and Volume Properties
  Accessible surface: 499.561  Positive charged surface: 385.325  Negative charged surface: 114.236  Volume: 242.625
  Hydrophobic surface: 341.008  Hydrophilic surface: 158.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.