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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
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,8,13-triacetyloxy-14-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
672.70
2
2
13
184.49
11
3-[(1R,4S,7R,10S,13S,19S,22S,25R,28S,31S,34S,39S,42S,45S,48R,54S,57S,60R,63S,66S,72S,75R,78S,81S,87S)-36-amino-28,31,72-tris(4-aminobutyl)-34-(2-amino-2-oxoethyl)-66-(3-amino-3-oxopropyl)-22,45-bis[(2S)-butan-2-yl]-4,57,81-tris[(1R)-1-hydroxyethyl]-10,39-bis(hydroxymethyl)-42,78-bis[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-2,5,8,11,14,20,23,26,29,32,35,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,88,91-nonacosaoxo-63-propan-2-yl-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,33,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,89,92-octacosazahexacyclo[46.44.4.47,60.425,75.015,19.083,87]tetrahectan-54-yl]propanoic acid
3106.60
-9
41
50
1351.05
36
3-[4-[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-sulfooxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid
470.40
1.3
4
11
177.43
11
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methyl-N-sulfooxyhexanimidothioate
403.50
0.4
5
11
199.79
9
[2-[2-[7-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1111.00
-2.6
16
29
463.26
18
(1S,2R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
204.35
4.5
0
0
0
1
(1S,5S,6S,8S,9S,13S,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
407.50
0.4
3
6
82.39
4
(5S,6S,8S,10R,13R)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
377.50
1.2
2
5
62.16
3
(E,6R)-6-[(1S,3R,6S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
456.70
8.5
2
3
57.53
5
25-Oxo-hentriacontanyl acetate
508.90
13.6
0
3
43.37
31
3-Methoxyflavone
252.26
3.7
0
3
39.44
2
10-Hydroxy majoroside
404.40
-3.3
6
11
175.37
6
CID 146014454
884.10
1.1
10
17
258.71
8
CID 146014457
421.60
0.9
2
6
71.39
5
[(2R,3R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
603.70
-0.3
4
11
147.38
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
682.60
-0.5
7
17
249.59
15
Ligustrosidic acid
554.50
-1.1
6
14
218.74
12
Oleuropeinic acid
570.50
-1.5
7
15
238.97
12
methyl (1S,2R,4R,7E,9R,10R,11S)-9-acetyloxy-10-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
464.50
1.4
0
10
130.26
7
Sdccgsbi-0051172.P002
404.16
-4.9
4
10
248.46
6
1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone
196.20
1.8
2
4
66.76
2
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)ethanone
210.23
2.1
2
4
66.76
2
CID 14602302
444.50
4.2
4
8
133.52
5
9,10-Dihydro-1-(4'-hydroxybenzyl)-4,7-dimethoxy phenanthrene-2,8-diol
378.40
4.6
3
5
79.15
4
(1R,16Z,23S)-22-oxa-5,10,14-triazatetracyclo[16.9.2.01,23.021,28]nonacosa-2,16,18(29),19,21(28)-pentaene-4,15,25-trione
437.50
1.6
3
5
96.53
0
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