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NCID-ZINC01765362

 MMsINC code: MMs02369463
Type: Neutral
Formula: C4H9O4P
SMILES:   P(OC)(O)(=O)CC(=O)C
InChI:   InChI=1/C4H9O4P/c1-4(5)3-9(6,7)8-2/h3H2,1-2H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-16.0874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.086 g/mol  logS: 0.39509  SlogP: -0.663  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.09204  Sterimol/B1: 2.8532  Sterimol/B2: 2.91113  Sterimol/B3: 3.55095
  Sterimol/B4: 3.71558  Sterimol/L: 11.0409 
 
 Surface and Volume Properties
  Accessible surface: 324.002  Positive charged surface: 216.605  Negative charged surface: 107.396  Volume: 127.375
  Hydrophobic surface: 212.011  Hydrophilic surface: 111.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.