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IBS-ZINC04311235

 MMsINC code: MMs01883913
Type: Neutral
Formula: C7H14NO4P
SMILES:   P(OCC)(OCC)N1CCOC1=O
InChI:   InChI=1/C7H14NO4P/c1-3-11-13(12-4-2)8-5-6-10-7(8)9/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.4828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.166 g/mol  logS: -0.81944  SlogP: 1.7385  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.14117  Sterimol/B1: 2.08388  Sterimol/B2: 3.39131  Sterimol/B3: 3.53555
  Sterimol/B4: 8.25542  Sterimol/L: 11.7142 
 
 Surface and Volume Properties
  Accessible surface: 418.772  Positive charged surface: 329.608  Negative charged surface: 89.1641  Volume: 187.625
  Hydrophobic surface: 297.729  Hydrophilic surface: 121.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.