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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
Grandiuvarins C
394.40
4.2
0
6
78.9
12
beta-Erythroidine hydrochloride
309.79
1
4
39.97
1
(3S,4S)-4-[(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
416.40
3.4
1
8
92.68
6
(2S,3R,6S)-2-[Hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
432.40
2.8
2
9
112.91
7
9,11-Dihydroxy-3,3-dimethyl-5,10-bis(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one
446.50
7.6
2
5
79.9
4
(1R,4R,5R,8R,10S,13R,14R,17S,18S,19R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosane-16,23-dione
470.70
6.2
1
4
63.6
0
(1S,2S,4S,5R,6S,9S,11R,12R,14R,15S,18S,23R)-9,12-dihydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
486.70
5.1
2
5
79.29
0
(4aS,6aR,6aS,6bR,8R,8aR,10S,12aS,14bS)-8,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
486.70
5.1
3
5
94.83
1
Genameside C
550.50
-4.5
8
15
234.29
9
Lancifodilactone L
560.60
-0.2
2
11
154.89
0
(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-(benzoyloxymethyl)-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
576.80
9
2
5
83.83
6
5-[(2R,6R)-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-4-methoxycarbonylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
674.60
1.4
7
16
263.88
16
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
1019.00
0
11
23
356.81
24
Macranthoside B
1075.20
-0.1
13
22
353.9
12
Murucoidin IV
1169.30
4
9
25
353.27
19
Parvispinoside A
1231.30
-3.9
18
29
465.67
18
8-epi-Xanthatin
246.30
2.1
0
3
43.37
2
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one
276.40
3.5
1
3
46.53
9
(6S,6aR,9aS,9bR)-6a-hydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
280.32
0.1
2
5
83.83
1
Dehydroabietal
284.40
5.5
0
1
17.07
2
3beta,12-Dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
286.40
3.1
2
3
57.53
0
methyl (4S,4aR,9aR)-4,8-dihydroxy-6-methyl-9-oxo-4,9a-dihydro-1H-xanthene-4a-carboxylate
304.29
2.3
2
6
93.06
2
Cordiaquinone J
324.40
3.9
0
3
43.37
3
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(2S)-2-(4-hydroxyphenyl)-2-propoxyethyl]prop-2-enamide
371.40
3.2
3
5
88.02
9
4-[[(2R,3S,6R)-3,6-dihydroxy-3,7,7-trimethyloxepan-2-yl]methoxy]furo[3,2-g]chromen-7-one
388.40
2.3
2
7
102.27
3
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