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CHEMSTAR-ZINC02146708

 MMsINC code: MMs01080385
Type: Neutral
Formula: C5H12NO4P
SMILES:   P(OCC)(OCC)(=O)C(=O)N
InChI:   InChI=1/C5H12NO4P/c1-3-9-11(8,5(6)7)10-4-2/h3-4H2,1-2H3,(H2,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.3978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: -0.60032  SlogP: 0.261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21009  Sterimol/B1: 2.53435  Sterimol/B2: 2.54704  Sterimol/B3: 4.48466
  Sterimol/B4: 6.8352  Sterimol/L: 10.486 
 
 Surface and Volume Properties
  Accessible surface: 387.197  Positive charged surface: 255.157  Negative charged surface: 132.04  Volume: 156.75
  Hydrophobic surface: 182.709  Hydrophilic surface: 204.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.