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SCFBio, IIT Delhi Hauz Khas, New Delhi

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
(3R,4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
240.38
2.9
2
2
40.46
1
3-Eudesmene-1beta,11-diol
238.37
2.2
2
2
40.46
1
[(1R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate
280.40
2.7
1
3
46.53
3
[(1R,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate
280.40
2.4
1
3
46.53
3
[(1R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl] acetate
280.40
2.8
1
3
46.53
3
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
794.70
0.1
8
20
288.28
16
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
764.70
0.2
8
19
279.05
15
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] 3-methylbut-2-enoate
316.40
4.8
0
3
43.37
4
cis-zeatin-7-N-glucoside
381.38
-1.6
6
10
166.01
6
dihydrozeatin-9-b-D-glucoside
383.40
-0.5
6
10
166.01
7
(6aS,12aS)-9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-enyl)-6a,7,12,12a-tetrahydronaphtho[2,3-c]chromen-3-ol
408.50
6.1
1
4
47.92
4
[(8R,9S,10R,13S,14S,16S,17Z)-17-ethylidene-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
356.50
4.1
0
3
43.37
2
(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
476.50
-0.9
5
12
165.76
8
2-(beta-d-Glucopyranosyloxy)-1-(4-hydroxyphenyl)ethanone
314.29
-1.1
5
8
136.68
5
(2S,3R,4R,5S,6S)-2-[4-[(2R,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-4-methoxy-6-methyloxane-3,5-diol
506.50
1
5
10
147.3
9
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
466.40
-1.1
7
11
178.53
5
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
950.80
-1.4
15
25
415.34
14
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-1'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-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
884.10
1
9
17
249.92
7
(E)-N-[2-[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienoxy]-3-hydroxyphenyl]ethyl]-3-methylsulfonylprop-2-enamide
435.50
2.8
2
6
118.15
11
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14aR)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-2H-picene-6a-carboxylic acid
456.70
7.3
2
3
57.53
1
6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
486.40
-2.3
7
13
208.74
5
24,25-Dihydroxycycloartan-3-one
458.70
7
2
3
57.53
5
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
994.80
-1.1
14
26
413.57
16
(2S)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
316.30
2.7
2
6
85.22
3
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