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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
Methyl 15-hydroxydehydroabietate
330.50
4.5
1
3
46.53
3
Talaumidin
342.40
3.9
1
5
57.15
3
(4aR,6S,10aR,11R,11aS,11bR)-6,10a,11-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
348.40
1.7
3
5
86.99
0
1-Methylcyclohexene
96.17
2.4
0
0
0
0
5,6,7,3'-Tetramethoxy-4'-hydroxyflavone
358.30
2.7
1
7
87.36
5
Isopsoralenoside
366.30
0.1
5
9
149.82
5
2-octadecyl-1H-indol-3-ol
385.60
11
2
1
36.02
17
7-hydroxy-7-(hydroxymethyl)-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
390.34
-3.1
7
11
186.37
5
[(3S,7R,10S,11S)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate
404.60
8.8
1
3
46.53
17
CID 11575632
432.50
4.1
0
7
64.61
12
4-[2-[(1R,4aS,6R,8aS)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
480.60
2.5
4
8
125.68
6
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate
516.50
-0.6
6
12
184.6
12
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
522.50
1
6
13
197.74
7
3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxybenzoic acid
536.50
1
5
13
190.67
11
(6S,6aS,9aS,9bR)-3-[2-[(3R,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-6,9a-dimethyl-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl]ethyl]-6a-hydroxy-6,9a-dimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
540.60
0.9
3
9
147.43
3
2-(4-Hydroxyphenyl)ethyl nonacosanoate
558.90
16.1
1
3
46.53
31
Capilliposide A
1079.20
-1.2
14
23
366.29
10
Levulinic acid
116.11
-0.5
1
3
54.37
3
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1137.30
-1.3
16
25
414.59
14
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1267.40
-1.7
17
29
470.35
15
(+)-trans-Isopiperitenol
152.23
2.1
1
1
20.23
1
trans-Zeatin-O-acetyl
261.28
1.2
2
6
92.79
6
2,5,7-Trihydroxy-1-methoxyxanthen-9-one
274.22
1.9
3
6
100.13
1
2,4-Dihydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]-benzoic acid
288.25
2.2
4
6
115.06
4
9H-Xanthen-9-one, 1,5-dihydroxy-2,3-dimethoxy-
288.25
2.7
2
6
89.13
2
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