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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
17,17-Dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2(10),4(9),5,7,14(19),15,20-octaen-6-ol
320.30
4.1
1
4
51.83
0
(E)-6-[(1'S,3S,6R,7S,7aS)-7-(3-methoxy-3-oxopropyl)-1'-methyl-3'-methylidene-6-prop-1-en-2-ylspiro[1,2,5,6,7,7a-hexahydroindene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohex-2-enoic acid
468.60
5.4
1
5
80.67
10
(2R)-2-[(1R,2R,3S)-1,2,3-trihydroxyhexyl]-2,3-dihydropyran-6-one
230.26
0.1
3
5
86.99
5
(E,4R,6R)-4-hydroxy-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
470.70
6.9
2
4
74.6
5
(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
765.00
4.8
7
12
195.6
6
(2S,3S)-3-(2-hydroxyethylamino)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-3-(3,4,5-trimethoxyphenyl)propan-1-ol
493.50
1.3
4
10
128.1
15
[(8R,9S,10R,13R,14R,17S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-14,17-dihydroxy-10-methyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-13-yl]methyl acetate
528.60
1.8
3
8
130.36
5
(1R,2R,4S,10R,13S,15R)-15-methyl-6-azapentacyclo[8.6.0.01,6.02,13.04,10]hexadecan-11-one
245.36
2.1
0
2
20.31
0
methyl (E)-3-[4-[(3S)-4-hydroxy-3-methylbutoxy]phenyl]prop-2-enoate
264.32
2.6
1
4
55.76
8
(2S)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbutan-1-ol
238.32
2.3
2
3
49.69
8
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
812.80
-1.2
10
20
310.28
16
Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh
754.70
-1.4
10
18
283.98
14
cyclo[Gln-Thr-Pro-Ile-Ser-Pro-Pro-Tyr-Phe]
1031.20
1
10
13
339.31
11
[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aS)-7-acetyloxy-4a,5-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
552.50
-0.9
6
13
201.67
9
(1S,4S,8S,11S,12S)-1,6,6,8-tetramethyl-7-oxatricyclo[6.3.1.04,12]dodecan-11-ol
238.37
2.8
1
2
29.46
0
(4R)-4-hydroxy-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
184.23
-0.3
2
3
57.53
1
[(1S,4aR,7S,10aR,11bR)-1-hydroxy-4,4,8,11b-tetramethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-yl] acetate
374.50
2.4
1
5
72.83
2
(1S,3R,8R,10S,11R,12S,16R)-12-hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one
332.40
2.4
1
4
59.06
0
Eurifoloid M
300.40
1.5
1
3
54.37
0
(1S,4S,5R,8R,10S,11R,13R,14R,17S,18R,19S,20R)-10,11-dihydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-16,23-dione
486.70
5.5
2
5
83.83
0
(1S,4S,5R,8R,10S,11R,13R,14R,17S,18R)-10,11-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-16,23-dione
486.70
5.5
2
5
83.83
0
(2R,4aR,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
488.70
4.9
4
5
97.99
2
(5S)-1,3-dimethoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-4-one
369.50
6
0
4
40.46
8
(5S,8R)-1,3,8-trimethoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-4-one
399.50
5.2
0
5
49.69
9
(5S,8R)-1,3,8-trimethoxy-2-methyl-5-octyl-5,6,7,8-tetrahydroquinolin-4-one
365.50
5.5
0
5
49.69
10
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