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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-2-[[(8S,9S,12R,15R,18R,21S,27R)-12-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
|
1143.30
|
-1
|
15
|
14
|
461.61
|
17
|
|
|
(6R)-6-hydroxy-5,7,7-trimethyl-3,4,6,8-tetrahydrocyclopenta[g]isochromen-1-one
|
246.30
|
2.5
|
1
|
3
|
46.53
|
0
|
|
|
4a-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-carbaldehyde
|
344.31
|
-2.5
|
5
|
9
|
145.91
|
4
|
|
|
[(1S,3R,8R,10S,11R,14R,16S)-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-14-yl] acetate
|
374.50
|
2.9
|
0
|
5
|
65.13
|
2
|
|
|
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-hydroxy-8-methylsulfanyloctanimidothioate
|
383.50
|
1.5
|
5
|
9
|
173.34
|
11
|
|
|
(5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
|
606.90
|
7.4
|
2
|
7
|
110.13
|
26
|
|
|
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] docos-13-enoate
|
679.10
|
17.4
|
1
|
5
|
72.83
|
41
|
|
|
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadec-11-enoyloxypropyl] octadec-11-enoate
|
1006.10
|
10
|
5
|
15
|
285.11
|
44
|
|
|
[(2S)-1-hydroxy-3-octadeca-9,12-dienoyloxypropan-2-yl] octadecanoate
|
621.00
|
14.6
|
1
|
5
|
72.83
|
36
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-11-enoate
|
718.00
|
10.4
|
2
|
9
|
144.19
|
40
|
|
|
[(2S)-1-hydroxy-3-octadec-9-enoyloxypropan-2-yl] icos-11-enoate
|
649.00
|
15.4
|
1
|
5
|
72.83
|
38
|
|
|
[(3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] icosa-8,11,14-trienoate
|
675.10
|
16.3
|
0
|
2
|
26.3
|
22
|
|
|
[(2S)-3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl] octadec-9-enoate
|
617.00
|
13
|
1
|
5
|
72.83
|
34
|
|
|
[(3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosa-4,7,10,13,16,19-hexaenoate
|
697.10
|
15.5
|
0
|
2
|
26.3
|
21
|
|
|
11-[3-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyheptadecanoic acid
|
887.00
|
0.9
|
11
|
20
|
313.44
|
24
|
|
|
3-[2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-3-(sulfooxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
|
452.40
|
1.7
|
3
|
10
|
157.2
|
8
|
|
|
3-[4-[1,3-Dihydroxy-1-(3-methoxy-4-sulfooxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid
|
470.40
|
1.1
|
4
|
11
|
177.43
|
11
|
|
|
2-[3-Oxo-2-(4-sulfooxypentyl)cyclopentyl]acetic acid
|
308.35
|
0.3
|
2
|
7
|
126.35
|
8
|
|
|
2-[3-Oxo-2-(5-sulfooxypentyl)cyclopentyl]acetic acid
|
308.35
|
0.4
|
2
|
7
|
126.35
|
9
|
|
|
2-Hydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxybenzoic acid
|
286.23
|
-0.4
|
5
|
8
|
136.68
|
3
|
|
|
[(2S)-1-hydroxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] icos-11-enoate
|
645.00
|
14.1
|
1
|
5
|
72.83
|
36
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,4R,5R,10R,13R,14R,17R)-4-(hydroxymethyl)-17-[(2R)-6-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
|
634.90
|
5.2
|
6
|
8
|
139.84
|
9
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[3-(4-methoxyphenyl)prop-2-enoyloxy]-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1427.50
|
-0.7
|
16
|
31
|
485.65
|
20
|
|
|
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1371.50
|
-2.7
|
18
|
31
|
484.13
|
16
|
|
|
[(2S)-2,3-dihydroxypropyl] icos-11-enoate
|
384.60
|
7.6
|
2
|
4
|
66.76
|
21
|
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