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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
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
635.80
1.5
5
11
166.22
6
2-[[(2R,13bS)-2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl]oxysulfonyl]acetic acid
421.50
-1
1
8
110.75
6
(1S,5R,8R,9S,10R,11R,14R,16S,17R,18R,19S)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-one
327.40
0.1
2
4
60.77
0
(1S,2R,5R,7R,8R,11R,12R,18S)-12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-ol
343.50
3.6
1
3
32.7
0
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
467.60
-0.6
3
8
100.85
6
(1R,4R,5R,8R,10S,13R,14R,17R,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]tetracosan-23-one
456.70
7.9
1
3
46.53
0
[(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate
520.60
4
1
8
80.7
7
methyl (1S,5R,6R,8R,9R,10S)-8-ethyl-8-hydroxy-4,13-diazahexacyclo[10.7.0.01,5.04,9.06,10.014,19]nonadeca-11,14,16,18-tetraene-11-carboxylate
352.40
2.1
2
5
61.8
3
(2R,4S,5R)-2,3,4-trimethyl-5-phenyl-1,3-oxazolidine
191.27
2.4
0
2
12.47
1
methyl (1S,4aR,5R,6R,7R,7aR)-4a,5,6-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
422.40
-2.9
7
12
195.6
5
Hydrangenoside D
578.60
0.7
5
12
181.44
11
(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R,5R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
534.70
1.1
5
8
152.36
5
[2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
768.80
-0.1
8
18
261.98
16
methyl (2R,3S,8S,9R,15R)-8-hydroxy-15-methoxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6,11-triene-12-carboxylate
402.40
3.1
1
7
95.2
5
(1R,2S,5R,8R,9R,10S,12R,14R,15R,18S,20R)-1,2,5,15,19,19-hexamethyl-8-propan-2-yl-11-oxahexacyclo[12.8.0.02,10.05,9.010,12.015,20]docosan-18-ol
442.70
8.3
1
2
32.76
1
1-[2,6-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
436.40
1.2
7
10
177.14
7
Monoterpenylmagnolol
402.60
7.9
2
2
40.46
7
1-Undecene
154.29
6.2
0
0
0
8
Peimine
431.70
4.1
3
4
63.93
0
1,2-Dehydro-a-cyperone
216.32
4
0
1
17.07
1
3,4-Dimethyl-5-pentylfuran-2(5H)-one
182.26
2.9
0
2
26.3
4
(2R,3R,4S,5S,6R)-2-[[(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
592.80
6.6
5
7
119.61
9
[(1R,2R,4R,8S,9R,10S,12S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
392.50
1.5
3
6
104.06
2
Justiciresinol
390.40
2.4
3
7
97.61
7
Norsolanadione
196.29
1.8
0
2
34.14
6
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