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ALFAAESAR-ZINC02038652

 MMsINC code: MMs00022468
Type: Neutral
Formula: C9H21O3P
SMILES:   P(OCCCC)(OCCCC)(=O)C
InChI:   InChI=1/C9H21O3P/c1-4-6-8-11-13(3,10)12-9-7-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.90406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.238 g/mol  logS: -1.69978  SlogP: 2.3725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.068898  Sterimol/B1: 2.46666  Sterimol/B2: 2.66191  Sterimol/B3: 3.96333
  Sterimol/B4: 8.11426  Sterimol/L: 13.8249 
 
 Surface and Volume Properties
  Accessible surface: 481.339  Positive charged surface: 352.103  Negative charged surface: 129.236  Volume: 217.125
  Hydrophobic surface: 370.639  Hydrophilic surface: 110.7
 
 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.