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MDPI-ZINC03847124

 MMsINC code: MMs02180566
Type: Neutral
Formula: C8H17O3P
SMILES:   P(OC)(=O)(C(=O)C(C)(C)C)CC
InChI:   InChI=1/C8H17O3P/c1-6-12(10,11-5)7(9)8(2,3)4/h6H2,1-5H3/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.195 g/mol  logS: -0.68401  SlogP: 1.4333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199946  Sterimol/B1: 2.49934  Sterimol/B2: 3.33321  Sterimol/B3: 3.67706
  Sterimol/B4: 5.80985  Sterimol/L: 11.081 
 
 Surface and Volume Properties
  Accessible surface: 387.512  Positive charged surface: 260.175  Negative charged surface: 127.337  Volume: 192.875
  Hydrophobic surface: 263.959  Hydrophilic surface: 123.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.