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ACROSORGANICS-ZINC02584451

 MMsINC code: MMs00014864
Type: Neutral
Formula: C4H11O4P
SMILES:   P(OC)(OC)(=O)CCO
InChI:   InChI=1/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.59239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: 0.59116  SlogP: -0.6056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906179  Sterimol/B1: 2.43061  Sterimol/B2: 2.846  Sterimol/B3: 3.57223
  Sterimol/B4: 5.50162  Sterimol/L: 10.5105 
 
 Surface and Volume Properties
  Accessible surface: 331.906  Positive charged surface: 266.295  Negative charged surface: 65.6107  Volume: 135.75
  Hydrophobic surface: 237.803  Hydrophilic surface: 94.103
 
 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.