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NCID-ZINC01581426

 MMsINC code: MMs02238797
Type: Neutral
Formula: C7H15O5P
SMILES:   P(OC)(OC)(=O)C(C(OCC)=O)C
InChI:   InChI=1/C7H15O5P/c1-5-12-7(8)6(2)13(9,10-3)11-4/h6H,5H2,1-4H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.08421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.166 g/mol  logS: -0.67397  SlogP: 0.3537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635389  Sterimol/B1: 2.46311  Sterimol/B2: 3.90769  Sterimol/B3: 4.27664
  Sterimol/B4: 4.89697  Sterimol/L: 13.2638 
 
 Surface and Volume Properties
  Accessible surface: 425.652  Positive charged surface: 329.055  Negative charged surface: 96.5976  Volume: 191.5
  Hydrophobic surface: 325.568  Hydrophilic surface: 100.084
 
 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.