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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
466.50
|
5.6
|
2
|
7
|
94.45
|
6
|
|
|
(1S,4aS,10aR)-1-(2-methoxy-2-oxoethyl)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
358.50
|
4.9
|
1
|
4
|
63.6
|
5
|
|
|
(2S)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-4-methylpentanoic acid
|
403.40
|
3.9
|
2
|
5
|
96.6
|
5
|
|
|
(1S,4aS,10aR)-7-hydroxy-1-(2-methoxy-2-oxoethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
332.40
|
3.4
|
2
|
5
|
83.83
|
4
|
|
|
2-(Furan-2-ylmethyl)-3,4-dihydroisoquinolin-2-ium-6,7-diol
|
244.27
|
1.2
|
2
|
3
|
56.61
|
2
|
|
|
(2S)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
|
451.50
|
4.5
|
1
|
5
|
85.6
|
6
|
|
|
(2R)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
|
451.50
|
4.5
|
1
|
5
|
85.6
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-7,8-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(3-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1141.30
|
1.9
|
11
|
23
|
364.65
|
16
|
|
|
cyclo[Arg-Arg-Pro-Ile-Cys(1)-Tyr-Lys-Asn-Gly-Leu-Pro-Ile-Cys(2)-Gly-Glu-Thr-Cys(3)-Val-Phe-Gly-Lys-Cys(1)-Asn-Thr-Pro-Gly-Cys(2)-Ser-Cys(3)]
|
3096.60
|
-9.7
|
41
|
47
|
1349.57
|
39
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(3-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1127.30
|
3.1
|
11
|
22
|
347.58
|
16
|
|
|
(1S,4aS,10aR)-1-(2-methoxy-2-oxoethyl)-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
356.50
|
5.1
|
1
|
4
|
63.6
|
5
|
|
|
(2S)-2,6-bis(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)hexanoic acid
|
690.70
|
5.6
|
3
|
8
|
155.9
|
9
|
|
|
(2R)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
|
437.40
|
4.1
|
2
|
5
|
96.6
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1169.30
|
3.2
|
10
|
23
|
353.65
|
18
|
|
|
(2S)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-4-methylsulfanylbutanoic acid
|
421.50
|
3.2
|
2
|
6
|
121.9
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-diacetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(3-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1227.40
|
2.7
|
10
|
25
|
379.95
|
20
|
|
|
[(2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl] acetate
|
339.50
|
4.7
|
1
|
4
|
55.4
|
13
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-8,10-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-7-(3-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1145.30
|
2.3
|
12
|
23
|
367.81
|
17
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
516.70
|
3.4
|
2
|
7
|
94.45
|
4
|
|
|
(1S,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1-(2-methoxy-2-oxoethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
374.50
|
3.5
|
2
|
5
|
83.83
|
5
|
|
|
cyclo[Arg-Val-Leu-Cys-Tyr-Lys-Asn-Gly-Lys-Pro-Ile-Cys(1)-Gly-Glu-Thr-Cys(2)-Leu-Leu-Gly-Lys-Cys-Tyr-Thr-Pro-Gly-Cys(1)-Thr-Cys(2)-Gly-Lys]
|
3187.80
|
-7.3
|
44
|
49
|
1381.74
|
44
|
|
|
(2S)-3-(4-hydroxyphenyl)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)propanoic acid
|
467.50
|
4.1
|
2
|
6
|
105.83
|
6
|
|
|
(5R)-5,15-dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11,13,15,17-hexaene-7,9-dione
|
294.30
|
3.5
|
0
|
4
|
56.51
|
0
|
|
|
7,8-Dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
|
292.30
|
3.5
|
2
|
4
|
66.76
|
1
|
|
|
(1S,4aS,10aR)-7-acetyl-1-(hydroxymethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
316.40
|
2.9
|
2
|
4
|
74.6
|
3
|
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