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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
3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
594.50
-0.4
9
15
249.2
6
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
610.50
-1.1
10
16
269.43
7
(5Z)-5-[(1S,4S,5R,6S,8S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
403.50
1.8
1
7
77.46
4
[(1R,2S,8S,9R,10S,11R,12R)-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
390.50
1.8
2
6
93.06
3
[(1S,2S,8S,9R,10S,11R,12R,15S)-15-acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
448.50
1.2
2
8
119.36
5
[(1S,2S,8S,9R,10S,11R,12S,15R)-10,15-diacetyloxy-9-hydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
490.50
1.7
1
9
125.43
7
(2S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
248.36
1.7
0
2
23.55
0
(1R,4S,5R,9S,10S,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
318.40
3.9
2
3
57.53
1
(Z)-9,12,13-trihydroxyoctadec-10-enoic acid
330.50
3.1
4
5
97.99
15
cyclo[DL-Ala-DL-xiIle-Gly-DL-Cys(1)-DL-Ser-DL-Cys(2)-DL-Lys-DL-Ser-DL-Lys-DL-Val-DL-Cys(3)-DL-Tyr-DL-Arg-DL-Asn-Gly-DL-xiIle-DL-Pro-DL-Cys(1)-Gly-DL-Glu-DL-Ser-DL-Cys(2)-DL-Val-DL-Trp-DL-xiIle-DL-Pro-DL-Cys(3)-DL-xiIle-DL-Ser-DL-Ser]
3140.70
-7
42
48
1338.72
37
(1R,3S,5R,6RS)-6-Hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-YL (2S)-3-hydroxy-2-phenylpropanoate
305.40
0.9
2
5
70
5
CID 139033583
600.90
8.7
3
4
73.22
9
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-altropyranoside
610.50
-0.9
10
16
269.43
6
Kaempferol 3-robinobioside
594.50
-0.9
9
15
249.2
6
[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
594.50
2.5
7
13
216.58
8
(2R,3R,4S,5S,6S,8R,13S,16S,17R,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
451.60
0.5
2
7
80.62
6
Celosin I
1103.20
-0.1
13
24
388.04
11
[(1S,3'S,4R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'R,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate
674.80
2.6
4
11
156.67
4
[(1S,2R,5R,6R,13R,14S,15R,17R,18S)-6-(furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-17-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-10-en-14-yl] 2-methylpropanoate
640.70
3.7
1
11
155.64
10
(1S,2S,10R,11R,13S,15S)-11-hydroxy-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-16-one
277.36
1.5
1
4
49.77
0
1-[(5aR,8R,9aR)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzofuran-4-yl]-2-methylpropan-1-one
344.40
5
1
4
55.76
4
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-(3-methylbutyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
398.50
3.1
0
5
51.24
4
(1S,2R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-2,14-diol
305.40
1
2
5
62.16
1
(1S,7S,9S,11R,12S,13S,17S)-4,12,16,16-tetramethyl-8-methylidene-17-[(E)-3-oxobut-1-enyl]-2,14,15-trioxapentacyclo[11.4.0.01,5.07,12.09,11]heptadec-4-en-3-one
384.50
2.2
0
5
61.83
2
[(1R,2R,3S,7S,8R,9S,11S,13R)-1,9-dihydroxy-9,13-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-2-yl] (Z)-2-methylbut-2-enoate
478.50
2.8
2
9
128.59
6
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