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MDPI-ZINC03847123

 MMsINC code: MMs02180565
Type: Neutral
Formula: C7H15O4P
SMILES:   P(OC)(OC)(=O)C(=O)C(C)(C)C
InChI:   InChI=1/C7H15O4P/c1-7(2,3)6(8)12(9,10-4)11-5/h1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.2936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: -0.61136  SlogP: 0.9748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1517  Sterimol/B1: 2.57215  Sterimol/B2: 2.94799  Sterimol/B3: 4.08811
  Sterimol/B4: 4.96813  Sterimol/L: 10.973 
 
 Surface and Volume Properties
  Accessible surface: 381.978  Positive charged surface: 275.972  Negative charged surface: 106.006  Volume: 181
  Hydrophobic surface: 268.703  Hydrophilic surface: 113.275
 
 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.