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PUBCHEM-ZINC02557021

 MMsINC code: MMs02900582
Type: Neutral
Formula: C3H9O3P
SMILES:   P(OCC)(O)(=O)C
InChI:   InChI=1/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.4549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.076 g/mol  logS: 0.40659  SlogP: -0.2321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141984  Sterimol/B1: 2.57109  Sterimol/B2: 2.73554  Sterimol/B3: 3.95097
  Sterimol/B4: 4.06433  Sterimol/L: 10.0367 
 
 Surface and Volume Properties
  Accessible surface: 301.754  Positive charged surface: 193.861  Negative charged surface: 107.893  Volume: 110.875
  Hydrophobic surface: 165.323  Hydrophilic surface: 136.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.