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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
Pubescenone
264.36
2.4
0
3
35.53
1
Excelsioside O-beta-D-glucopyranoside
686.70
-2.2
8
17
260.59
14
(4R,4aS,6aS,7R,11aS,11bR)-4-(hydroxymethyl)-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4a-ol
318.40
4.1
2
3
53.6
1
methyl (4S,4aS,6aR,11aS,11bR)-4a-hydroxy-4,11b-dimethyl-7-oxo-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
346.40
3.2
1
5
76.74
2
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl]oxy]oxan-2-yl]methyl hexadecanoate
687.90
5.7
4
11
147.38
19
[(1S,2R,3S,4S,8S,10R,12R,13S,15S,16S)-15-acetyloxy-4-(acetyloxymethyl)-13-(furan-3-yl)-16-hydroxy-3-(2-methoxy-2-oxoethyl)-2,4,12-trimethyl-17-methylidene-6-oxo-5,9-dioxatetracyclo[8.7.0.02,8.012,16]heptadecan-11-yl] 3-methylbutanoate
688.80
2.5
1
13
174.1
13
(1S,12S,13R,14S)-15-ethenyl-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
310.40
2.3
3
3
59.49
2
5-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
692.80
6.8
0
11
107.04
11
5-[(2E)-6-hydroperoxy-3,7-dimethylocta-2,7-dienoxy]-7-hydroxychromen-2-one
346.40
3.9
2
6
89.13
8
Kuwanon O
694.70
7
8
11
205.21
7
5-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
522.50
0.8
6
13
197.74
7
methyl 2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoate
386.50
7.6
2
4
66.76
10
Pyramidaglain A
694.80
4.9
3
9
141.65
14
6-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
694.80
7.5
0
10
80.32
11
5-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
694.80
7.8
0
10
80.32
11
(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone
696.60
2.1
11
17
301.43
10
(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone
696.60
2.1
11
17
301.43
10
3-[(2S,3R,4S,5S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
696.60
-1.2
10
18
287.89
9
5-hydroxy-8-methoxy-7-[(2S,3R,4S,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]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
698.60
-1
8
18
265.89
11
3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
698.80
-0.5
8
14
225.06
6
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4-acetyloxy-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2-methylbutanoylamino)benzoate
698.80
2.8
3
11
153.09
13
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,16S)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
885.00
0
9
17
255.91
7
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,16S)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
901.00
0
10
18
276.14
8
(3S,8S,9S,10R,11R,13S,14S,16S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,16-triol
430.70
5.9
3
3
60.69
5
(3S,4aR,6aR,6aR,6bR,8S,8aS,10R,12S,12aR,14aR,14bR)-10-hydroperoxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
474.70
6.5
3
4
69.92
1
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