Table 2 Drug likeness prediction of the secondary metabolites strongly correlated with A) I. confusa NPF antiplasmodial and antileishmanial potentials and B) I. pseudacorus observed anti Trypanosoma brucei rhodesiense potential, using Lipinski and Veber filters

(A)

Spirioiridoconfal C

yes

0

-

no

1

Rotatable bonds

Oleic acid

yes

1

MLOGP

no

1

Rotatable bonds

MGDG (18:3/18:3)

yes

1

MW

no

2

Rotatable bonds and TPSA

Iridobelamal A

yes

1

MW

no

2

Rotatable bonds and TPSA

TAG (18:2/18:2/18:3)

no

2

MW and MLOGP

no

1

Rotatable bonds

(B)

Cer (t18:0/α24:0)

no

2

MW and MLOGP

no

1

Rotatable bonds

Cer (t18:1/α24:0)

no

2

MW and MLOGP

no

1

Rotatable bonds

Chlorophyll b

yes

1

MW

no

1

Rotatable bonds

Corosolic acid

yes

1

MLOGP

yes

0

-

DGDG (18:3/18:3)

no

3

MW, #HBA, and #HBD

no

2

Rotatable bonds and TPSA

Hydroxyoctadecadienoic acid

yes

0

-

no

1

Rotatable bonds

Maslinic acid

yes

1

MLOGP

yes

0

-

MGDG (18:2/18:2)

yes

1

MW

no

2

Rotatable bonds and TPSA

Moreollic acid

yes

1

MW

yes

0

-

PC (18:1/18:2)

yes

1

MW

no

1

Rotatable bonds

PG (22:6/18:3)

no

2

MW and MLOGP

no

2

Rotatable bonds and TPSA

Pheophytin a

no

2

MW and MLOGP

no

2

Rotatable bonds and TPSA

Tumlosic acid

yes

1

MLOGP

yes

0

-