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NCID-ZINC01578260

 MMsINC code: MMs02236346
Type: Neutral
Formula: C6H13O5P
SMILES:   P(OC)(O)(=O)CC(C(OC)=O)C
InChI:   InChI=1/C6H13O5P/c1-5(6(7)10-2)4-12(8,9)11-3/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.2922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: 0.24194  SlogP: -0.4429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751955  Sterimol/B1: 1.969  Sterimol/B2: 3.07391  Sterimol/B3: 3.43001
  Sterimol/B4: 4.90225  Sterimol/L: 13.4264 
 
 Surface and Volume Properties
  Accessible surface: 392.881  Positive charged surface: 293.054  Negative charged surface: 99.8274  Volume: 172.375
  Hydrophobic surface: 263.325  Hydrophilic surface: 129.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.