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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
cyclo[Ala-D-Tyr-Asn-Phe-Gly-D-Ile]
665.70
0.7
8
8
237.92
8
(9R,10R,11S,14R,15R)-10-ethyl-14-methyl-3-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadeca-1(16),2-dien-13-one
371.50
3.1
0
4
57.53
2
(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
594.60
-0.7
7
14
214.06
7
(2R)-4-[14-[(2S,3S)-3-[2-[(2S,3S)-3-dodecyloxiran-2-yl]ethyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one
574.90
13.9
0
4
51.36
29
(2R)-4-[16-[(2R,3R)-3-[2-[(2R,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]hexadecyl]-2-methyl-2H-furan-5-one
574.90
13.9
0
4
51.36
29
(2R)-2-methyl-4-[12-[(2R,3R)-3-[2-[(2R,3S)-3-[(E)-tetradec-3-enyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2H-furan-5-one
572.90
13.2
0
4
51.36
28
(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
434.40
0.7
6
10
166.14
3
(2R)-5-hydroxy-8-methoxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
448.40
0.9
5
10
155.14
5
(3S)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
356.40
4.1
4
6
107.22
3
methyl (1S,4aS,6S,7R,7aR)-6-[(2S,3R,4R)-3-ethenyl-4-[[(2R,4S)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
820.80
-2.6
9
21
308.51
15
methyl (3S,4R,4aR,6S,7R,7aR)-6-[(2S,3S,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-3-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-4-carboxylate
632.60
0.2
5
15
209.13
13
(16S)-dotriacontan-16-ol
466.90
15.7
1
1
20.23
29
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,6,7,8-pentol
322.27
-0.4
7
8
150.84
1
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
582.50
-0.5
6
14
210.9
10
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
584.60
-2.7
9
15
237.45
13
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3S)-8-hydroxyoct-1-en-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
468.50
-2.2
8
12
198.76
12
[(2S,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
786.70
-2.1
12
20
324.44
14
[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,6aR,6bR,8aS,10R,12aR,14bR)-10-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
959.10
1.9
12
19
315.21
10
[(2R,3S,4S,5R,6S)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aS,6aR,6bS,8aR,10S,12aS,14bS)-10-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S,3S,4R,5S,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-carboxylate
1205.40
-0.7
14
25
392.59
13
(2S)-3-methyl-1-(3-methylfuran-2-yl)butane-2,3-diol
184.23
1
2
3
53.6
3
(2S,3R,4S,5R,6S)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
465.40
9
11
211.83
4
(4S)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
330.37
-0.8
4
7
116.45
4
(3S,4aS,5S,6S)-5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
388.40
-0.9
4
10
144.14
5
(2S)-4-[14-[(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one
558.90
14.9
0
3
38.83
29
(2S)-2-methyl-4-[12-[(2R,3R)-3-[(E)-octadec-3-enyl]oxiran-2-yl]dodecyl]-2H-furan-5-one
558.90
14.9
0
3
38.83
29
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