15 compounds with lowest score values per heavy atom (lower is better; 210 compounds in total)
Minimum number
of heavy atoms: 22
Maximum number of heavy atoms: 35
| Id | Score | HA | LE | 2D Struct | Binding Mode | Remark | |
|---|---|---|---|---|---|---|---|
| 1 | lig-224307-02 | -13.1 | 35 | -3.74 | |
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| 2 | lig-199597-00 | -13.0 | 35 | -3.71 | |
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| 3 | lig-224307-01 | -13.0 | 35 | -3.71 | |
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| 4 | lig-226350-00 | -12.9 | 35 | -3.69 | |
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| 5 | lig-382212-00 | -12.7 | 35 | -3.63 | |
||
| 6 | lig-382218-00 | -12.7 | 35 | -3.63 | |
||
| 7 | lig-125093-00 | -12.6 | 35 | -3.60 | |
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| 8 | lig-285372-02 | -12.5 | 35 | -3.57 | |
||
| 9 | lig-190583-00 | -12.4 | 35 | -3.54 | |
||
| 10 | lig-407165-00 | -12.4 | 35 | -3.54 | |
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| 11 | lig-202606-00 | -12.4 | 35 | -3.54 | |
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| 12 | lig-201816-00 | -12.4 | 35 | -3.54 | |
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| 13 | lig-199596-01 | -12.3 | 35 | -3.51 | |
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| 14 | lig-126692-00 | -12.3 | 35 | -3.51 | |
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| 15 | lig-118317-00 | -12.3 | 35 | -3.51 | |
Legend:
HA: number of heavy atoms (non-hydrogen atoms)
LE: ligand efficiency (LE = 10 * score / (number of heavy atoms))
COMAS 17-Sep-2018