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PUBCHEM-ZINC02018452

 MMsINC code: MMs02854092
Type: Neutral
Formula: C3H9O2P
SMILES:   [PH](OCC)(=O)C
InChI:   InChI=1/C3H9O2P/c1-3-5-6(2)4/h6H,3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.36251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.077 g/mol  logS: -0.29536  SlogP: 0.0572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100459  Sterimol/B1: 2.16538  Sterimol/B2: 2.50706  Sterimol/B3: 2.97735
  Sterimol/B4: 3.84517  Sterimol/L: 10.0474 
 
 Surface and Volume Properties
  Accessible surface: 288.329  Positive charged surface: 175.816  Negative charged surface: 112.513  Volume: 103.875
  Hydrophobic surface: 195.848  Hydrophilic surface: 92.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.