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. 2018 May 8;4(5):e00612. doi: 10.1016/j.heliyon.2018.e00612

Table 3.

In silico ADMET prediction by OSIRIS property explorer.

Properties CID74427946 CID74427945 CID360883 CID193721 CID51416859
Mutagenic No No No No No
Tumorigenic No No No No No
Irritant No No No No No
Reproductive effective No No No No No
C Log p −0.43 −0.45 −0.52 −0.53 −0.79
Solubility −3.24 −3.28 −2.38 −2.39 −2.14
MW 426.0 428.0 313.0 314.0 422.0
TPSA 168.7 165.2 139.1 139.6 162.5
Drug likeness −3.22 −3.29 −3.32 −3.35 −3.39
Drug score 0.41 0.43 0.45 0.47 0.41