9,13,17,17-tetramethyl-4,12-dioxapentacyclo[11.7.1.01,16.05,21.06,11]henicosa-6,8,10-trien-7-ol
C₂₃H₃₂O₃·356.500 g/mol·CID 5211
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
356.500g/mol
Exact Mass
356.235145Da
Monoisotopic Mass
356.235145Da
XLogP
5.4
Polar Surface Area
38.7Ų
Complexity
574
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
26
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 356.5 g/mol
MW ≤ 500
✗ 5.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C23H32O3/c1-14-12-15(24)18-16(13-14)26-22(4)9-6-17-21(2,3)7-5-8-23(17)10-11-25-19(18)20(22)23/h12-13,17,19-20,24H,5-11H2,1-4H3