Table 4.  In-silico prediction of drug-likeness for curcumin derivatives[a].
Compound  MW  LogP  SA  HBA  HBD  nviolations  Rotatable bonds
BHBC  534.78  8.93  236.0  4  3  1  6
MNC  538.59  6.14  232.11  7  2  1  11
BDMC  308.33  3.83  133.51  4  3     5
1  270.353  4.21  115.89  3  1     4
2  332.739  3.79  136.57  5  4     4
3  314.337  3.77  133.64  5  4     4
4  322.36  4.36  139.56  3  3     4
5  364.441  4.93  159.62  4  0     5
6  320.388  4.95  141.45  4  3     1
7  325.32  3.60  138.02  5  1     6
8  329.193  4.45  125.75  2  1     4
9  462.181  5.24  164.71  7  2     0
10  351.358  4.13  149.74  4  5     1
11  360.375  5.07  149.89  2  1     3
12  419.565  6.24  185.40  9  4     1
13  389.495  5.22  171.67  4  4     1
14  342.778  3.81  143.82  4  2     2
15  469.629  4.38  208.20  6  5     1
16  486.564  6.19  211.58  11  6  1  0
DMC  342.391  3.20  146.43  5  2     9
FAC  550.604  4.7  232.81  9  2     15
IBC  556.655  5.24  240.62  7  1     15
IVC  504.535  4.69  214.22  8  3     11
SYC  430.453  3.77  180.12  10  8  1  3
[a]   MW = Molecular weight, LogP = octanol-water partition coefficient, SA = Surface Area, HBA = Number of hydrogen bond acceptor, HBD = Number of hydrogen bond donor, nviolations = violations from Lipinski’s rule. BHBC: 3-5-di-tert-butyl-4-hydroxybenzaldehyde curcumin, MNC: 4-methoxy-1-naphthaldehyde curcumin, BDMC: Bis-demethoxy curcumin, DMC: Demethoxy curcumin, FAC: Ferulic-acid curcumin, IBC: Ibuprofen curcumin, IVC: Isovanillin curcumin, SYC: Syringaldehyde curcumin.