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ACROSORGANICS-ZINC02560501

 MMsINC code: MMs00014337
Type: Neutral
Formula: C5H13O4P
SMILES:   P(OCC)(OCC)(=O)CO
InChI:   InChI=1/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.3399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.129 g/mol  logS: 0.23124  SlogP: 0.1321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182664  Sterimol/B1: 2.52396  Sterimol/B2: 2.58151  Sterimol/B3: 4.34994
  Sterimol/B4: 6.53816  Sterimol/L: 10.486 
 
 Surface and Volume Properties
  Accessible surface: 379.153  Positive charged surface: 272.1  Negative charged surface: 107.053  Volume: 152.125
  Hydrophobic surface: 236.394  Hydrophilic surface: 142.759
 
 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.