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MDPI-ZINC03163792

 MMsINC code: MMs02176465
Type: Neutral
Formula: C11H23O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)C(C)(C)C
InChI:   InChI=1/C11H23O4P/c1-8(2)14-16(13,15-9(3)4)10(12)11(5,6)7/h8-9H,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.5792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.275 g/mol  logS: -1.9202  SlogP: 2.532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171807  Sterimol/B1: 2.51834  Sterimol/B2: 2.70746  Sterimol/B3: 4.41633
  Sterimol/B4: 7.2605  Sterimol/L: 12.4217 
 
 Surface and Volume Properties
  Accessible surface: 479.903  Positive charged surface: 310.547  Negative charged surface: 169.356  Volume: 252.75
  Hydrophobic surface: 303.409  Hydrophilic surface: 176.494
 
 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.