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SIAL-ZINC05273912

 MMsINC code: MMs03927353
Type: Neutral
Formula: C29H51O5P
SMILES:   P(Oc1c(C)c(c2OC(CCc2c1C)(CCCC(CCCC(CCCC(C)C)C)C)C)C)(O)(O)=O
InChI:   InChI=1/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)/t21-,22-,29-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 510.696 g/mol  logS: -9.86436  SlogP: 7.53593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219676  Sterimol/B1: 2.56718  Sterimol/B2: 3.10391  Sterimol/B3: 5.15428
  Sterimol/B4: 7.49926  Sterimol/L: 27.2792 
 
 Surface and Volume Properties
  Accessible surface: 892.021  Positive charged surface: 622.905  Negative charged surface: 269.116  Volume: 536
  Hydrophobic surface: 676.276  Hydrophilic surface: 215.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.