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ALFAAESAR-ZINC02577585

 MMsINC code: MMs00024081
Type: Neutral
Formula: C6H15O3P
SMILES:   P(OC(C)C)(OC(C)C)O
InChI:   InChI=1/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-7H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.12523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -0.97908  SlogP: 2.0556  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0637503  Sterimol/B1: 2.24417  Sterimol/B2: 2.94141  Sterimol/B3: 3.07168
  Sterimol/B4: 5.30354  Sterimol/L: 11.9943 
 
 Surface and Volume Properties
  Accessible surface: 390.983  Positive charged surface: 276.639  Negative charged surface: 114.344  Volume: 164.75
  Hydrophobic surface: 236.411  Hydrophilic surface: 154.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.