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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
7-methoxy-6-[(1S)-1-[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
450.60
5.7
0
5
46.15
6
8,9-Dihydroxy-10-isobutyryloxythymol
268.30
1.7
3
5
86.99
6
[2-[2-(Acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate
292.33
2.3
0
5
65.13
7
Sorgoleone 358
358.50
6
1
4
63.6
13
[(10R,11R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
634.50
0.1
11
18
310.66
4
7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
1066.70
-1.1
19
30
525.1
1
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
452.40
-0.1
7
12
203.44
7
(4S)-4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one
303.40
2.7
0
4
38.77
6
[(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
534.70
3.7
1
8
124.58
3
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one
616.70
2.2
5
10
162.98
7
b-Solamarine
868.10
1.1
9
16
238.48
7
2-[2-[3,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
884.10
1.1
10
17
258.71
8
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
234.20
1
2
5
87.74
2
Anhydrobarakol
214.22
1.1
0
3
43.35
0
Sanguiin H1
786.60
1.2
13
22
377.42
7
[(10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
786.60
1.2
13
22
377.42
7
[(1S,7S,9S,18R,19S,21R,22S)-7,8,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate
650.50
-2.6
10
19
316.73
4
[3,6a,13',14',18',19',25'-heptahydroxy-5'-(hydroxymethyl)-2',5,10',23'-tetraoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,21'-3,6,9,20,24-pentaoxahexacyclo[17.2.2.14,8.115,18.01,17.011,16]pentacosa-11,13,15-triene]-7'-yl] 3,4,5-trihydroxybenzoate
808.60
-4.8
11
24
381.72
4
(2,3,14,15,16,19,20,21,35,36-Decahydroxy-6,11,24,32-tetraoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-1(39),2,4,12,14,16,18,20,22,33,35,37-dodecaen-29-yl) 3,4,5-trihydroxybenzoate
918.60
2.9
13
25
416.86
3
[(2S,3S,4S,5R,6S)-4-[(2S,3R,4S,5R)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate
892.80
1.3
8
21
309.26
15
(2Z)-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
464.40
0
8
12
206.6
4
3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
314.24
-1.3
6
9
156.91
1
Lyciumin A
873.90
0.3
10
12
306.7
10
Lyciumin B
896.90
0.8
10
11
302.26
10
2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
632.80
4.8
5
9
153.75
4
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