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MDPI-ZINC03847125

 MMsINC code: MMs02180567
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.2332 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: 0.159245  Sterimol/B1: 2.53276  Sterimol/B2: 3.30502  Sterimol/B3: 3.55696
  Sterimol/B4: 5.5201  Sterimol/L: 10.8708 
 
 Surface and Volume Properties
  Accessible surface: 382.396  Positive charged surface: 260.555  Negative charged surface: 121.841  Volume: 191.75
  Hydrophobic surface: 258.56  Hydrophilic surface: 123.836
 
 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.