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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
(13Z)-3-methoxytricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,13,22,25-heptaene-5,24,25-triol
424.60
8.5
3
4
69.92
1
Leucosesterlactone
432.50
2.5
2
6
93.06
5
CID 11201318
432.60
5.5
2
4
58.92
0
[(2S,3S)-3-(acetyloxymethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butyl] acetate
504.50
3.8
1
10
118.98
14
[(1R)-2-methyl-1-[(2S,4Z)-5-oxo-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
506.50
1.1
5
11
172.21
10
kaempferol-3-O-(2,3-di-O-acetyl-alpha-L-rhamnopyranoside)
516.40
2.4
4
12
182.19
7
Pityriarubin A
526.50
2.2
5
5
130.84
3
Hythiemoside B
526.70
2.2
5
9
145.91
7
Epicatechin-(3'-O-7'')-epiafzelechin
562.50
2.1
8
11
189.53
4
(1S,4aS,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
566.50
-0.9
7
14
221.9
10
(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
566.50
-1.4
7
14
221.9
10
(E)-5-[7-[5-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one
570.70
5.9
0
6
77.54
8
Dehydromethoxygaertneroside
576.50
-0.1
5
14
207.74
8
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-8,10-diacetyloxy-2-(2-acetyloxypropan-2-yl)-4,12,13-trihydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-7-yl] benzoate
630.70
0.8
3
12
175.12
10
Linalyl valerate
238.37
4.7
0
2
26.3
9
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
810.90
0.7
4
16
199.52
8
cyclo[Gln-Thr-Gly-Met-Leu-Pro-Ile-Pro]
838.00
0.2
8
11
303.84
11
Polianthoside B
1197.30
-2
15
27
414.21
14
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
170.25
1.5
2
2
40.46
5
7-Hydroxy-6-methoxy-4h-chromene
178.18
1.9
1
3
38.69
1
1-(3,6-Dihydroxy-2-methoxyphenyl)ethanone
182.17
1.4
2
4
66.76
2
(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
222.37
3.9
1
1
20.23
1
(3R,4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
224.25
0.8
2
4
58.92
1
5-Hydroxy-3-[2-(4-hydroxyphenyl)ethyl]cyclohex-2-en-1-one
232.27
1.3
2
3
57.53
3
2,5-dimethoxy-3-methyl-9H-carbazole
241.28
3.7
1
2
34.25
2
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