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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
[(1aR,3aR,4S,5S,7S,7aS,7bS)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-hydroxy-4,5,7a,7b-tetramethyl-1a,2,3,3a,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate
512.60
3.3
1
8
111.66
8
4-Aminobutanal
87.12
-0.9
1
2
43.09
3
3-[(3S,5R,10S,13S)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,11,12-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-2H-furan-5-one
528.60
1.8
3
8
114.68
4
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
534.70
1.2
3
8
114.68
4
(2S,3R,4S)-2-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-ethenyl-4-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
538.50
0.2
7
13
212.67
11
[(2R,3S,4S,5R,6S)-6-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
542.50
1.9
8
12
206.6
8
(3S)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-8-hydroxy-3,4-dihydroisochromen-1-one
550.50
-0.4
7
13
204.83
7
Furohyperforin
552.80
8.1
1
5
80.67
10
epi-Calyxin H
566.60
7.1
5
7
127.45
12
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
572.90
12.2
1
3
46.53
5
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
572.90
11.5
1
3
46.53
4
2,6,8-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
584.50
-1.9
10
16
269.43
6
ruageanin B
584.70
3
1
10
141.87
7
[(2R,3S,4S,5R,6S)-6-[[(2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
600.60
0.3
5
13
190.67
10
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
602.80
9.8
2
5
83.83
5
Isospinosin
608.50
-1.1
9
15
249.2
7
Blepharocalyxin C
610.70
6.8
6
7
130.61
12
[(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
612.60
-0.4
7
15
223.29
13
Cryptophycin-49
625.10
6.6
2
7
120.03
8
2,8-dihydroxy-5,6-dimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
628.50
-1.6
9
17
267.66
8
(2R)-2-[(1R)-1-[(3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
634.80
1.4
6
11
183.21
6
(3S,5R)-5-[7-[(2S,5R)-5-[(1R,4S)-1,4-dihydroxy-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one
638.90
7.8
3
8
122.52
25
Isorhamnetin 3,4'-diglucoside
640.50
-1.1
10
17
278.66
8
24-epi-Pinfaensin
664.80
2.3
7
11
194.21
5
2-ammonioethyl (2R)-2,3-bis(palmitoyloxy)propyl phosphate
692.00
12.5
1
8
148.64
39
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