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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
[(1R,9R,10S,12R,13S,14R,16S,17R,18R)-13-ethyl-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
354.40
2.2
2
5
61.8
3
2-(4-Hydroxyphenyl)ethyl hexatriacontanoate
657.10
19.9
1
3
46.53
38
2-(4-Hydroxyphenyl)ethyl tetracontanoate
713.20
22
1
3
46.53
42
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-[4-hydroxy-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]phenyl]prop-2-enoate
704.60
0.2
10
17
274.75
12
[2-hydroxy-1-(5-hydroxy-2-phenyl-8,9-dihydro-4H-furo[2,3-h]chromen-9-yl)-2-methylpropyl] acetate
396.40
3.3
2
6
85.22
5
(2R,3R,4S,5S,6R)-2-[[(2S,3R,4S)-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
538.50
-0.3
7
12
187.76
9
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-2,5-bis(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
538.50
-0.3
7
12
187.76
9
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
418.30
1.3
6
10
170.05
4
methyl (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
566.50
-3.8
7
16
240.36
8
(1S,3S,9R,10R,11R,14R,15R,16S)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
375.50
3.9
0
5
55.84
2
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
730.70
-3
13
19
318.37
11
(2S,3R,4S,5S,6R)-2-[4-[(E)-2-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
700.60
-2.6
12
18
298.14
11
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
730.70
-3
13
19
318.37
11
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxychromen-2-one
472.40
-2.4
7
13
208.74
6
(3R)-3-hydroxy-9-methoxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
289.33
1.9
1
5
60.69
1
methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
368.40
1
2
4
85.38
3
2-Keto-L-gulonic acid
194.14
-2.9
5
7
135.29
5
(2R)-1-iodo-2-methylundecane
296.23
7.2
0
0
0
9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,7S,8R,10aS,10bR)-8-hydroxy-7-(hydroxymethyl)-2-[(3R,4S)-4-hydroxy-3-methylpentyl]-4a,4b,7,10a-tetramethyl-4,5,6,6a,8,9,10,10b-octahydro-3H-chrysene-2-carboxylate
650.80
4.1
7
10
177.14
9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,8S,9R,10aS,10bR)-8,9-dihydroxy-2-[(3R,4S)-4-hydroxy-3-methylpentyl]-4a,4b,7,7,10a-pentamethyl-4,5,6,6a,8,9,10,10b-octahydro-3H-chrysene-2-carboxylate
650.80
3.8
7
10
177.14
8
(3R,4S,4aS,6aR,6bS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicen-3-ol
422.60
7.3
2
2
40.46
1
5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]benzene-1,3-diol
326.30
3.3
3
5
83.06
1
(1S,4S,5R,9S,10R,13R,14S)-14-(acetyloxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
362.50
5.4
1
4
63.6
4
[(1S,4S,9S,10R,13R)-5-(acetyloxymethyl)-9-methyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
388.50
5.4
0
4
52.6
6
(1S,4S,5S,9S,10S,13R)-14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
316.40
4.7
1
3
54.37
2
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