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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-[(2R,3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
374.40
3.7
2
6
77.38
5
5-[(2S,3S)-4-hydroxy-6-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
680.70
7.7
7
9
160.07
6
[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
614.60
2.1
7
13
216.58
8
(2R,3R,4R,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
419.40
7
9
171.37
3
4-[(2S,3R,4S,5S)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol
388.50
4
1
6
66.38
6
[(1R,2R,4S,5S,7S,8S,12S,13S,18S,20R,21S)-4-hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
417.50
2.6
1
6
68.23
2
[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-[(R)-methylsulfinyl]-N-sulfooxyhexanimidothioate
451.50
-1.7
5
13
236.07
11
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-[(R)-methylsulfinyl]-N-sulfooxyoctanimidothioate
479.60
-0.6
5
13
236.07
13
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol
282.31
-2.8
4
8
135.66
5
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-[(R)-methylsulfinyl]-N-sulfooxybutanimidothioate
423.50
-2.4
5
13
236.07
9
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-[(R)-methylsulfinyl]-N-sulfooxypentanimidothioate
437.50
-2.1
5
13
236.07
10
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E,1Z)-5-[(S)-methylsulfinyl]-N-sulfooxypent-4-enimidothioate
435.50
-2
5
13
236.07
9
methyl (Z)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-4-methoxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
414.50
2.3
1
6
77.1
6
(2R,3R,4S,10S)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one
1028.90
4.1
16
21
377.67
6
(3E,5E)-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)hexa-3,5-dien-2-one
234.25
2.4
2
4
66.76
4
4-[(2S,3R,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
374.40
3.7
2
6
77.38
5
6-Methyl-1-heptanol
130.23
2.8
1
1
20.23
5
[(1S,4R,4aS,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-1-hydroxy-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
390.50
2.1
1
6
89.27
6
[(3R,4S,4aS,5R,6S,8aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-6-yl] (E)-2-methylbut-2-enoate
348.40
2.9
1
5
72.83
3
(1S,2S,3S,4S,8S,10S,13S)-8-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one
296.36
1.6
1
5
68.29
1
aglaroxin A
519.50
2.7
2
8
106.92
5
(1R,4aR,4bR,7S,10aR)-7-hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
334.40
3.1
2
4
74.6
2
6-Methoxy-1-propylcyclohexa-2,4-dien-1-ol
168.23
1.6
1
2
29.46
3
Thebaine N-oxide
327.40
1.6
0
4
50.75
2
elaeodendroside B
516.60
1.6
2
8
103.68
2
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