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MDPI-ZINC03165013

 MMsINC code: MMs02176468
Type: Neutral
Formula: C8H17O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)C(C)C
InChI:   InChI=1/C8H17O4P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7H,5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.194 g/mol  logS: -1.06401  SlogP: 1.3649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129198  Sterimol/B1: 2.05705  Sterimol/B2: 2.96523  Sterimol/B3: 4.0719
  Sterimol/B4: 8.10287  Sterimol/L: 12.2087 
 
 Surface and Volume Properties
  Accessible surface: 439.209  Positive charged surface: 300.162  Negative charged surface: 139.047  Volume: 200.125
  Hydrophobic surface: 289.963  Hydrophilic surface: 149.246
 
 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.