Table 8 Physicochemical properties of compounds 3c, and 4c using SwissADME online server.

From: New indole-linked 1,2,4-triazole derivatives as dual FAK inhibitors and apoptosis inducers targeting survival and migration in triple-negative breast cancer in-vitro

Compd. No

MW

g/mol

Log P

HBA

HBD

TPSA

Å2

Fraction Csp3

MR

nRB

Drug likeness

No. Lipinski violation

No. Veber

violation

3c

410.47

2.77

4

3

126.92

0.15

111.79

8

0

0

4c

476.60

4.52

3

1

102.59

0.11

144.07

7

1

0

Doxorubicin

543.52

− 2.1

12

6

206.07

0.44

132.66

5

3

1

  1. MW: Molecular weight; Log P: lipophilicity (log octanol/water partition coefficient); HBA: Hydrogen bond acceptor; HBD: Hydrogen bond donor; TPSA: Topological polar surface area. MR: Molar reactivity, nRB: number of rotatable bonds. Drug likeness (Lipinski Pfizer filter) limits are “Yes, drug-like” for MW ≤ 500, Log p (MLOGP) ≤ 4.15, HBA ≤ 10, and HDD ≤ 5. Veber GSK filter for nRB ≤ 10, TPSA ≤ 140Å2.
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