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IFLAB-ZINC04276609

 MMsINC code: MMs02035054
Type: Neutral
Formula: C24H42O6
SMILES:   O(C(=O)C(O)C(O)C(OC1CC(CCC1C(C)C)C)=O)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C24H42O6/c1-13(2)17-9-7-15(5)11-19(17)29-23(27)21(25)22(26)24(28)30-20-12-16(6)8-10-18(20)14(3)4/h13-22,25-26H,7-12H2,1-6H3/t15-,16+,17-,18+,19-,20-,21+,22-/m1/s1

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Potential Energy
Epot(MMFF94)=131.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.594 g/mol  logS: -6.43894  SlogP: 3.7162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777408  Sterimol/B1: 2.28382  Sterimol/B2: 3.16903  Sterimol/B3: 6.00908
  Sterimol/B4: 7.09731  Sterimol/L: 17.7141 
 
 Surface and Volume Properties
  Accessible surface: 692.305  Positive charged surface: 508.855  Negative charged surface: 183.449  Volume: 436.625
  Hydrophobic surface: 506.167  Hydrophilic surface: 186.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.