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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
[6-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
310.40
3.1
2
5
75.99
10
(1R,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
318.40
3.4
2
3
57.53
2
Erythrartine
329.40
1
1
5
51.16
3
4-[(2S,3S,4S,5S)-5-(3-hydroxy-4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
330.40
3.4
3
5
79.15
3
(1R,3R,5R,8R,10R,12R)-5,12-bis(prop-1-en-2-yl)-2,9-dioxatetracyclo[6.6.2.01,10.03,8]hexadecane-3,10-diol
334.40
3.3
2
4
58.92
2
beta-(1->6)-Galactobiose
342.30
-4.7
8
11
189.53
4
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(2R)-2-(4-hydroxyphenyl)-2-methoxyethyl]prop-2-enamide
343.40
2.3
3
5
88.02
7
(e)-3-((2s,3r)-2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl)acrylic acid
344.30
1.5
5
7
127.45
4
Methyl Carnosate
346.50
5.2
2
4
66.76
3
[(3aR,4S,5R,7R,8aS)-3a,4-dihydroxy-4-methyl-1-methylidene-8-oxo-7-propan-2-yl-2,3,5,6,7,8a-hexahydroazulen-5-yl] (Z)-2-methylbut-2-enoate
350.40
2.2
2
5
83.83
4
methyl (1R,4S,5R,9S,10S,12S,13R,15S)-12-acetyloxy-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
390.50
3.5
1
5
72.83
4
5,9-Epi-7,8-didehydropenstemoside
404.40
-2.7
6
11
175.37
5
[(1S,4aR,5S,6aR,11aS,11bS)-5-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate
416.50
3.3
1
6
85.97
4
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
418.40
-1.1
5
11
172.21
6
1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
242.23
-1.2
3
5
104.55
2
2'-Methylacetophenone
134.17
2
0
1
17.07
1
(Z,6S)-2-methyl-6-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
454.70
7.6
1
3
54.37
5
[(E)-2-[(2R,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate
462.60
3.1
1
7
83.45
9
Petunidin-3-galactoside
479.40
8
11
200.83
5
Styraxjaponoside B
534.60
1.8
4
11
153.37
10
(2R,3R,4S,5S,6R)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxane-3,4,5-triol
578.80
4.1
4
8
117.84
2
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,14R,16R,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl]oxyoxane-3,4,5-triol
594.80
3.9
5
9
138.07
3
cyclo[Gly-Gly-D-Pro-D-Trp-D-Tyr-D-Pro]
657.70
1.2
6
7
193.04
4
Marsdenoside F
752.90
1.9
2
14
178.04
11
Sapinmusaponin D
815.00
2.3
9
14
228.22
10
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