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PUBCHEM-ZINC03934559

 MMsINC code: MMs03084822
Type: Neutral
Formula: C28H52O7P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(P(OC(C)C)(OC(C)C)=O)Cc1cc(C(C)(C)C)c(
O)c(c1)C(C)(C)C
InChI:   InChI=1/C28H52O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-16,18-21,25,29H,17H2,1-14H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 562.665 g/mol  logS: -7.01031  SlogP: 6.80157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.315678  Sterimol/B1: 4.33032  Sterimol/B2: 5.19694  Sterimol/B3: 6.22732
  Sterimol/B4: 10.0092  Sterimol/L: 15.1337 
 
 Surface and Volume Properties
  Accessible surface: 781.564  Positive charged surface: 540.885  Negative charged surface: 240.678  Volume: 564.75
  Hydrophobic surface: 549.572  Hydrophilic surface: 231.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.