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MDPI-ZINC03847126

 MMsINC code: MMs02180568
Type: Neutral
Formula: C10H21O3P
SMILES:   P(OC)(=O)(C(C)(C)C)C(=O)C(C)(C)C
InChI:   InChI=1/C10H21O3P/c1-9(2,3)8(11)14(12,13-7)10(4,5)6/h1-7H3/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.249 g/mol  logS: -1.33843  SlogP: 2.2119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245608  Sterimol/B1: 2.60099  Sterimol/B2: 3.03472  Sterimol/B3: 4.55521
  Sterimol/B4: 6.52528  Sterimol/L: 11.0741 
 
 Surface and Volume Properties
  Accessible surface: 415.752  Positive charged surface: 290.209  Negative charged surface: 125.543  Volume: 226.75
  Hydrophobic surface: 290.209  Hydrophilic surface: 125.543
 
 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.