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PUBCHEM-ZINC02509458

 MMsINC code: MMs02890838
Type: Ionized
Formula: C4H10O4P2-2
SMILES:   P(=O)([O-])(CCP(=O)([O-])C)C
InChI:   InChI=1/C4H12O4P2/c1-9(5,6)3-4-10(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.00094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.068 g/mol  logS: 1.42422  SlogP: -2.6176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950922  Sterimol/B1: 3.06866  Sterimol/B2: 3.13201  Sterimol/B3: 3.13232
  Sterimol/B4: 3.69893  Sterimol/L: 11.7842 
 
 Surface and Volume Properties
  Accessible surface: 352.084  Positive charged surface: 169.256  Negative charged surface: 182.828  Volume: 148.375
  Hydrophobic surface: 165.448  Hydrophilic surface: 186.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs02890837
PUBCHEM-ZINC02509458