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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S)-2-hydroxy-3-oxalooxycyclohexa-1,5-diene-1-carboxylic acid
|
228.16
|
0.8
|
3
|
7
|
121.13
|
4
|
|
|
(6S)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
|
420.50
|
5.8
|
3
|
6
|
100.13
|
3
|
|
|
(3R,4R)-3-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
554.60
|
3.1
|
5
|
10
|
155.14
|
11
|
|
|
[(1S,2R,4aR,5S,6R,8S,8aR)-2-acetyloxy-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-1-yl]methyl acetate
|
450.50
|
2.2
|
2
|
8
|
123.27
|
8
|
|
|
[(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
|
415.34
|
-1.4
|
5
|
11
|
181.89
|
7
|
|
|
1-methyl-3-[[(1S,5R)-1,3,3-trimethyl-5-(methylcarbamothioylamino)cyclohexyl]methyl]thiourea
|
316.50
|
2.5
|
4
|
2
|
112.3
|
3
|
|
|
5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
640.50
|
-1.1
|
10
|
17
|
278.66
|
8
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.50
|
-1
|
9
|
16
|
258.43
|
7
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.50
|
-1
|
9
|
16
|
258.43
|
7
|
|
|
5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
786.70
|
-2.8
|
12
|
21
|
337.58
|
10
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
|
564.50
|
-2.2
|
10
|
14
|
250.97
|
4
|
|
|
1,8-Dihydroxy-2-(5-hydroxy-7-methoxy-2-methyl-1,4-dioxoanthracen-9-yl)-3-methoxy-6-methylanthracene-9,10-dione
|
550.50
|
5.4
|
3
|
9
|
147.43
|
3
|
|
|
(2S,3R,4S,5R,6R)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
|
302.28
|
-1.4
|
5
|
8
|
128.84
|
4
|
|
|
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
506.50
|
1.5
|
5
|
12
|
177.51
|
6
|
|
|
(4R)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
|
330.37
|
-0.8
|
4
|
7
|
116.45
|
4
|
|
|
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
|
346.37
|
-2.1
|
5
|
8
|
136.68
|
5
|
|
|
2,4,4-trimethyl-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]methoxy]cyclohex-2-en-1-one
|
492.50
|
-2.5
|
7
|
12
|
195.6
|
7
|
|
|
(1R,3aS,8aR)-1-methyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulene-4-carboxylic acid
|
234.33
|
3.8
|
1
|
2
|
37.3
|
2
|
|
|
[(1S,4aR,6S,7R,7aS)-6-acetyloxy-7-(acetyloxymethyl)-4a,7-dihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl (2R)-3-methyl-2-(3-methylbutanoyloxy)butanoate
|
600.70
|
2.1
|
2
|
13
|
181.19
|
18
|
|
|
(2R)-N-[(3R,4R,7R,10E)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2S,3R)-2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide
|
665.80
|
5.4
|
3
|
6
|
120.08
|
9
|
|
|
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
446.40
|
1.5
|
5
|
10
|
159.05
|
4
|
|
|
(2S,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
462.40
|
1
|
7
|
12
|
207.35
|
4
|
|
|
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid
|
608.50
|
-0.3
|
9
|
16
|
266.27
|
6
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
756.70
|
-2.7
|
12
|
20
|
328.35
|
9
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
740.70
|
-2.2
|
11
|
19
|
308.12
|
8
|
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