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NCID-ZINC01563203

 MMsINC code: MMs02225005
Type: Neutral
Formula: C8H17O4P
SMILES:   P(OC)(OC)(=O)C1(OC1)C(C)(C)C
InChI:   InChI=1/C8H17O4P/c1-7(2,3)8(6-12-8)13(9,10-4)11-5/h6H2,1-5H3/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.194 g/mol  logS: -0.89134  SlogP: 1.1747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.168958  Sterimol/B1: 1.969  Sterimol/B2: 3.95674  Sterimol/B3: 4.49897
  Sterimol/B4: 5.12138  Sterimol/L: 10.8148 
 
 Surface and Volume Properties
  Accessible surface: 395.843  Positive charged surface: 281.484  Negative charged surface: 114.359  Volume: 198.625
  Hydrophobic surface: 303.471  Hydrophilic surface: 92.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.