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PUBCHEM-ZINC02037672

 MMsINC code: MMs02862106
Type: Neutral
Formula: C3H9O3P
SMILES:   [PH](OCCC)(O)=O
InChI:   InChI=1/C3H9O3P/c1-2-3-6-7(4)5/h7H,2-3H2,1H3,(H,4,5)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-20.3723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.076 g/mol  logS: -0.40651  SlogP: -0.2752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808163  Sterimol/B1: 2.68647  Sterimol/B2: 2.75807  Sterimol/B3: 2.84586
  Sterimol/B4: 3.00559  Sterimol/L: 10.8282 
 
 Surface and Volume Properties
  Accessible surface: 299.056  Positive charged surface: 174.042  Negative charged surface: 125.014  Volume: 109.75
  Hydrophobic surface: 164.557  Hydrophilic surface: 134.499
 
 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.