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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
Occidiol
236.35
2.8
1
2
29.46
1
(3S)-3-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydroxy-8-methoxy-2H-chromen-4-one
344.30
2
2
7
94.45
3
5-Methyl-4-(3-methylbut-2-enoxy)chromen-2-one
244.28
3.5
0
3
39.44
3
15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol
309.40
4.2
1
4
41.93
2
3-[[3-Methoxy-4,5-bis(trimethylsilyloxy)phenyl]methyl]-4-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]oxolan-2-one
590.90
0
7
72.45
12
(1R,2S,4S,6R,7S,10S)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
343.50
3.6
1
3
32.7
0
1-Bromo-4-cyclopropylbenzene
197.07
3.6
0
0
0
1
Echivulgarine
479.60
1.7
2
9
122.6
12
[(2R,3S,6R)-3-[(5R,7R,8R,9R,10S,11R,13S,17S)-7,11-dihydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)-5-oxooxan-2-yl] acetate
558.70
3.5
3
8
130.36
4
[(2R,3S,6R)-3-[(5R,8R,9R,10S,11R,13S,17S)-11,16-dihydroxy-4,4,8,10,13-pentamethyl-3,7-dioxo-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)-5-oxooxan-2-yl] acetate
572.70
2.1
3
9
147.43
4
(5aS,10bS)-7-butanoyl-8,10-dihydroxy-2,2,4,4-tetramethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3-dione
442.50
4.6
2
7
110.13
4
(6aS)-1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
325.40
3.4
0
4
30.93
3
Muristerone a
496.60
-0.1
7
8
158.68
5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyheptanimidothioate
403.50
0.6
5
11
199.79
10
Eriodictyol-8-glucoside
450.40
-0.4
8
11
197.37
3
3-hydroxy-5-methoxy-5-oxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid
474.40
-1.7
6
13
209.51
12
1-O-methyl 2-O,3-O-bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate
742.70
-2.4
9
19
297.89
18
(8R,13aS)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
421.40
3.2
6
7
124.62
2
(2S,4R,4aS,4bS,8aS,9S,10S)-4b,8,8-trimethyl-2-propan-2-yl-3,4,5,6,7,8a,9,10-octahydrophenanthrene-2,4,4a,9,10-pentol
354.50
1
5
5
101.15
1
8-[2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopenten-1-yl]octanoic acid
308.40
3.1
2
4
74.6
11
(5R)-3-methyl-6-[(4Z)-4-(4-methyl-5-oxopyrrol-2-ylidene)butyl]-1,6-diazaspiro[4.5]dec-3-en-2-one
315.40
1.8
2
3
61.44
4
[(4aR,6S,7R,7aS)-7-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] (2S,3R,4S)-4-(2,2-dihydroxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
544.50
-0.8
6
13
201.67
9
methyl (1R,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
630.60
-0.2
5
15
209.13
13
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
136.23
2.8
0
0
0
0
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
838.90
2.5
9
17
287.27
8
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