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PUBCHEM-ZINC05647208

 MMsINC code: MMs03334081
Type: Neutral
Formula: C24H38O4
SMILES:   O(C(=O)c1ccccc1C(OCCC(CC)CC)=O)CC(CCCC)CCC
InChI:   InChI=1/C24H38O4/c1-5-9-13-20(12-6-2)18-28-24(26)22-15-11-10-14-21(22)23(25)27-17-16-19(7-3)8-4/h10-11,14-15,19-20H,5-9,12-13,16-18H2,1-4H3/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.564 g/mol  logS: -8.04505  SlogP: 6.433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506141  Sterimol/B1: 2.46848  Sterimol/B2: 3.99348  Sterimol/B3: 4.09347
  Sterimol/B4: 12.9433  Sterimol/L: 19.2124 
 
 Surface and Volume Properties
  Accessible surface: 793.183  Positive charged surface: 562.97  Negative charged surface: 230.212  Volume: 424.75
  Hydrophobic surface: 647.524  Hydrophilic surface: 145.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.