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ALFAAESAR-ZINC01598104

 MMsINC code: MMs00021455
Type: Neutral
Formula: C11H23O5P
SMILES:   P(OCC)(OCC)(=O)C(CCC)C(OCC)=O
InChI:   InChI=1/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.31687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.274 g/mol  logS: -2.04538  SlogP: 1.9141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772146  Sterimol/B1: 2.08221  Sterimol/B2: 3.29147  Sterimol/B3: 3.55213
  Sterimol/B4: 10.6413  Sterimol/L: 14.8172 
 
 Surface and Volume Properties
  Accessible surface: 535.032  Positive charged surface: 396.796  Negative charged surface: 138.236  Volume: 263.75
  Hydrophobic surface: 396.334  Hydrophilic surface: 138.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.