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PUBCHEM-ZINC04782905

 MMsINC code: MMs03171103
Type: Neutral
Formula: C2H5O3P
SMILES:   [PH]1(OCCO1)=O
InChI:   InChI=1/C2H5O3P/c3-6-4-1-2-5-6/h6H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.033 g/mol  logS: -0.37155  SlogP: -0.6473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269091  Sterimol/B1: 2.07788  Sterimol/B2: 2.58356  Sterimol/B3: 2.66253
  Sterimol/B4: 3.84922  Sterimol/L: 7.49945 
 
 Surface and Volume Properties
  Accessible surface: 234.478  Positive charged surface: 127.916  Negative charged surface: 106.562  Volume: 80.625
  Hydrophobic surface: 141.632  Hydrophilic surface: 92.846
 
 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.