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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
Costaricine
582.70
5.4
4
8
101.44
9
Indan
118.18
3.2
0
0
0
0
(2S)-4-[(15S)-15-hydroxy-15-[(2S,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
592.90
12.9
2
5
75.99
28
4-[2,11-Dihydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
594.90
8.6
3
7
105.45
23
N-[(1S,3R,6S,7S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-4-hydroxy-3,5-dimethoxy-N-methylbenzamide
596.80
7
2
6
82.47
7
Javoricin
596.90
8.8
4
7
116.45
26
Woorenoside II
606.60
1.2
4
13
171.83
13
(4S)-1-[(3R,4As,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
606.60
-0.7
6
13
209.51
13
7-O-Methylrutin
624.50
-1
9
16
258.43
7
Lyciumoside I
630.80
2
8
12
198.76
17
3''-O-methylcrenatoside
636.60
-0.3
7
15
223.29
9
3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
641.70
4
0
12
161.46
11
[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate
652.70
0.3
1
14
190.56
13
CID 10326969
654.60
7.2
6
12
208.12
5
quadranoside V
664.80
1.7
8
11
197.37
5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
666.80
2.4
8
11
197.37
6
orthosiphol F
676.70
5.3
2
11
162.73
11
calyxin I
686.70
7.4
5
9
145.91
9
Bismahanine
692.90
12.2
4
4
90.5
7
[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
730.60
3.5
12
16
287.52
6
methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(E)-3-phenylprop-2-enoyl]oxy-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
738.80
1.8
2
14
174.74
9
Quercetin-3-neohesperidoside-7-rhamnoside
756.70
-2
12
20
328.35
8
cyclo[Ala-Phe-Pro-Gly-Leu-His-Phe]
769.90
2.4
7
8
223.59
8
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
770.70
-1.7
10
19
293.21
14
2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
772.70
-2.9
13
21
348.58
9
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