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PUBCHEM-ZINC03799969

 MMsINC code: MMs03076615
Type: Neutral
Formula: C24H42O7P2
SMILES:   P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)=Cc1cc(C(C)(C)C)c(O)c(c1)C(C)
(C)C
InChI:   InChI=1/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.541 g/mol  logS: -6.3866  SlogP: 5.6774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25664  Sterimol/B1: 2.05907  Sterimol/B2: 3.63307  Sterimol/B3: 7.92568
  Sterimol/B4: 11.633  Sterimol/L: 16.164 
 
 Surface and Volume Properties
  Accessible surface: 790.129  Positive charged surface: 560.354  Negative charged surface: 229.774  Volume: 491.25
  Hydrophobic surface: 571.571  Hydrophilic surface: 218.558
 
 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.