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AURORAFEINCHEMIE-ZINC02557603

 MMsINC code: MMs00454718
Type: Neutral
Formula: C4H9O4P
SMILES:   P(OC)(OC)(=O)C(=O)C
InChI:   InChI=1/C4H9O4P/c1-4(5)9(6,7-2)8-3/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.086 g/mol  logS: -0.00605  SlogP: -0.0514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192318  Sterimol/B1: 2.0623  Sterimol/B2: 4.06998  Sterimol/B3: 4.07033
  Sterimol/B4: 4.44624  Sterimol/L: 9.06937 
 
 Surface and Volume Properties
  Accessible surface: 321.587  Positive charged surface: 224.584  Negative charged surface: 97.0027  Volume: 130.25
  Hydrophobic surface: 234.575  Hydrophilic surface: 87.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.