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APOLLO-ZINC01847594

 MMsINC code: MMs00050071
Type: Neutral
Formula: C6H13O5P
SMILES:   P(OC)(OC)(=O)CC(OCC)=O
InChI:   InChI=1/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.127437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: -0.34676  SlogP: -0.0348  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0687419  Sterimol/B1: 2.57845  Sterimol/B2: 3.7203  Sterimol/B3: 3.85032
  Sterimol/B4: 4.90278  Sterimol/L: 12.9528 
 
 Surface and Volume Properties
  Accessible surface: 402.653  Positive charged surface: 304.308  Negative charged surface: 98.3448  Volume: 172.375
  Hydrophobic surface: 303.412  Hydrophilic surface: 99.241
 
 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.