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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
Valoneic acid dilactone
470.30
1.4
7
13
228.33
3
[(1S,2S,3S,4S,5S,6E,10R)-2-acetyloxy-4-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-5-yl] (E)-2-methylbut-2-enoate
394.50
3.2
1
6
85.36
6
[(1S,2S,3S,4S,5S,6E,10R)-2,4-diacetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-5-yl] (E)-2-methylbut-2-enoate
436.50
3.8
0
7
91.43
8
(2R)-2,6,6-trimethyl-4-methylidenespiro[1,2,5,7-tetrahydroindene-3,1'-cyclopropane]
202.33
3.8
0
0
0
0
(2R)-2,4,6,6-tetramethylspiro[2,5-dihydro-1H-indene-3,1'-cyclopropane]
202.33
3.8
0
0
0
0
(2R,7aR)-2,4,6,6-tetramethylspiro[2,5,7,7a-tetrahydro-1H-indene-3,1'-cyclopropane]
204.35
4.4
0
0
0
0
[(1R,15R,17R,19R,20R,21S)-21-acetyloxy-19-(hydroxymethyl)-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-20-yl] acetate
528.70
6.1
1
9
117.59
9
[(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-19-yl] acetate
528.70
6.1
1
9
117.59
10
[(1R,15R,17R,19R,20R,21S)-21-acetyloxy-20-hydroxy-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-19-yl]methyl acetate
528.70
6.1
1
9
117.59
9
[(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-19-hydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate
528.70
6.1
1
9
117.59
10
[(1R,14R,16R,18R,19R,20S)-14-hexyl-19-hydroxy-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-20-yl] acetate
486.60
6.1
2
8
111.52
8
[(1R,15R,17R,19R,20S,21S)-20,21-dihydroxy-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-19-yl]methyl acetate
486.60
5.5
2
8
111.52
7
[(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate
486.60
5.5
2
8
111.52
8
(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-18-(hydroxymethyl)-2,15,17-trioxabicyclo[14.4.0]icosan-3-one
444.60
5.5
3
7
105.45
6
3-[[(1R,15R,17R,19R,20R,21S)-19-(acetyloxymethyl)-20-hydroxy-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-21-yl]oxy]-3-oxopropanoic acid
572.70
5.8
2
11
154.89
11
3-[[(1R,14R,16R,18R,19R,20S)-18-(acetyloxymethyl)-14-hexyl-19-hydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-20-yl]oxy]-3-oxopropanoic acid
572.70
5.8
2
11
154.89
12
Tingenone
420.60
5.4
1
3
54.37
0
[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate
803.00
2
6
15
228.51
7
(1R,4aR,4bR,6S,7S,10aR)-6,7-dihydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
350.40
2.2
3
5
94.83
2
(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
454.70
8.5
1
2
29.46
5
(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicene-2-carboxylic acid
630.90
9.2
2
6
93.06
6
4-[3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
418.50
4.2
0
6
55.38
13
4-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenol
504.80
10.6
1
2
29.46
7
(1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
560.50
1.8
6
13
209.51
11
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethyl-3'-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1005.10
-0.8
11
21
314.83
9
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