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IBS-ZINC02325367

 MMsINC code: MMs01832797
Type: Neutral
Formula: C6H16NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)C
InChI:   InChI=1/C6H16NO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5,7H2,1-3H3/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.2268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.172 g/mol  logS: -0.1651  SlogP: 0.487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116655  Sterimol/B1: 2.38101  Sterimol/B2: 2.69962  Sterimol/B3: 3.89961
  Sterimol/B4: 8.00262  Sterimol/L: 10.6143 
 
 Surface and Volume Properties
  Accessible surface: 402.367  Positive charged surface: 294.046  Negative charged surface: 108.321  Volume: 175.125
  Hydrophobic surface: 249.481  Hydrophilic surface: 152.886
 
 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.