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PUBCHEM-ZINC03599285

 MMsINC code: MMs03018638
Type: Neutral
Formula: C8H20O7P2
SMILES:   P(OC(C)C)(OC(C)C)(OP(OC)(OC)=O)=O
InChI:   InChI=1/C8H20O7P2/c1-7(2)13-17(10,14-8(3)4)15-16(9,11-5)12-6/h7-8H,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-39.3169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.189 g/mol  logS: -1.30754  SlogP: 1.2216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134287  Sterimol/B1: 2.55184  Sterimol/B2: 3.01541  Sterimol/B3: 4.06877
  Sterimol/B4: 8.18236  Sterimol/L: 13.2416 
 
 Surface and Volume Properties
  Accessible surface: 519.998  Positive charged surface: 371.821  Negative charged surface: 148.177  Volume: 252.75
  Hydrophobic surface: 368.498  Hydrophilic surface: 151.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.