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PUBCHEM-ZINC05822145

 MMsINC code: MMs03401154
Type: Ionized
Formula: C10H21O5P-2
SMILES:   P(OCCOCC(CCCC)CC)(=O)([O-])[O-]
InChI:   InChI=1/C10H23O5P/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)/p-2/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.63572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.247 g/mol  logS: -2.25289  SlogP: -0.0055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726443  Sterimol/B1: 2.14628  Sterimol/B2: 3.52545  Sterimol/B3: 3.71539
  Sterimol/B4: 8.69734  Sterimol/L: 15.1937 
 
 Surface and Volume Properties
  Accessible surface: 510.037  Positive charged surface: 328.187  Negative charged surface: 181.85  Volume: 241
  Hydrophobic surface: 330.984  Hydrophilic surface: 179.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs03401153
PUBCHEM-ZINC05822145