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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
4-Hydroxyscytalone, cis-
210.18
-0.2
4
5
97.99
0
Colutehydroquinone
332.30
2.9
2
6
77.38
4
Zeaxanthin-laurate-myristate
961.50
23.5
0
4
52.6
36
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-acetyloxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
969.20
4.2
9
18
280.82
10
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-acetyloxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
985.20
2.9
10
19
301.05
11
gibberellin A98
362.40
0.5
3
6
104.06
1
(4Z)-4-(1-methoxy-4-methyl-2-oxopentylidene)-2-methylcyclohexa-2,5-dien-1-one
234.29
2.4
0
3
43.37
4
[(2S,4R,5R,5aR,8S,9aR,10S,10aR)-4,5,10-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-2-yl] acetate
536.60
0.6
2
10
145.66
9
(1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
238.37
2.5
1
2
29.46
0
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,11S,12aS,14aR,14bR)-11-carboxy-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
989.10
0.5
13
21
352.51
10
(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-15-[(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-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-pentadecaen-46-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(16),12,14,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
1851.20
2.5
31
51
890.13
1
[(1R,2S,4S,7S,8R,9R,11R)-11-methoxy-3,3-dimethyl-12-methylidenespiro[10-oxatricyclo[6.4.0.02,4]dodecane-7,2'-oxirane]-9-yl] acetate
322.40
1.9
0
5
57.29
3
[1-(5,7-Dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbutanoate
390.40
3.8
0
7
92.04
9
1,2-Benzenediol, 5-[4-(acetyloxy)tetrahydro-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-yl]-3-methoxy-, (2I+/-,4I+/-,6I+/-)-(-)-
432.50
3.3
3
8
114.68
8
[(2S,4S,6S)-2-(3,4-dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl] acetate
432.50
3.3
3
8
114.68
8
1,2-Benzenediol, 3-methoxy-5-[tetrahydro-4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-yl]-, (2alpha,4alpha,6alpha)-(-)-
390.40
2.7
4
7
108.61
6
1,5-Epoxy-3-hydroxy-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane
390.40
2.7
4
7
108.61
6
(1s,3r,5s)-1,5-Epoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-ol
404.50
3.1
3
7
97.61
7
[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate
853.00
3.6
6
16
237.2
11
[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate
706.90
4.7
4
12
178.28
9
(4aR,5S,7R,8aR,9aS)-7-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
250.33
2.1
1
3
46.53
0
(4R,5R)-4,5-dihydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one
334.32
-3.3
6
9
156.91
5
(4S,5S)-4,5-dihydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one
334.32
-3.3
6
9
156.91
5
8-[(E)-2-[2-(5,7-dimethoxy-2-oxochromen-8-yl)-1-methylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one
530.60
6.2
0
8
97.34
7
3-(1H-indol-3-ylmethyl)-1-methylindole
260.30
4
1
0
20.72
2
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