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Drug Likeness

Below you see a section of an SDFile with the prediction results from PASS. We introduced a new field "DRUG_LIKENESS" that tells you the percentage that your compound is drug like. This one is with 97.9 % probability a drug. The answer is right, the compound is from a group of acetylcholinesterase inhibitors taken from MDDR.

-ISIS- 09190111482D

27 30 0 0 0 0 0 0 0 0999 V2000

-1.7103 1.9897 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0

-....

26 27 1 0 0 0 0

M END

> <MOLREGNO> (66219)

66219

> <DRUG_LIKENESS>

0.979

> <ACTIVITY_PREDICTION>

45 substructure descriptors; 0 new.

Exclude structure with activities:

Acetylcholinesterase inhibitor

Cholinergic

Cognition disorders treatment

163 of 1043 possible activities at Pa > Pi.

Pa Pi for Activity:

0.869 0.010 Nootropic

0.812 0.018 Antiamyloidogenic

0.768 0.007 Antipa....

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