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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
[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
610.50
2.1
8
14
236.81
8
Cypellogin A
630.60
1.8
8
14
236.81
8
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-[(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]oxychromen-4-one
640.50
-1.5
10
17
278.66
8
(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraene-3,14-dione
692.60
-1.2
8
17
260.59
7
[(2R,3R,4R,5S)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
772.60
2
12
21
357.19
13
(2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8aR,9S,10R,14bR)-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
959.10
1.2
12
19
315.21
9
(2R,3R,4S)-4-hydroxyisoleucine
147.17
-2.8
3
4
83.55
3
Frustulosinol
204.22
2.7
3
3
60.69
3
Senkyunolide I
224.25
0.5
2
4
66.76
2
6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
354.31
-1.1
4
9
138.82
4
9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-
408.40
0.6
2
9
128.59
1
(3S,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
296.31
0
3
6
104.06
1
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-4-methylpentanoate
313.39
-0.1
3
6
90.23
7
Tagalsin A
316.40
4.8
1
3
49.83
1
(3S,4R,4aS,4bS,5R,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,4,5-triol
320.50
3.2
3
3
60.69
1
(13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
327.40
2.6
2
5
62.16
2
1-Hydroxy-2,3,4,6-tetramethoxyxanthone
332.30
3
1
7
87.36
4
methyl (2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate
332.40
4.5
1
4
63.6
2
1,4-Dimethylcyclohexane
112.21
3.8
0
0
0
0
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
346.37
-2.1
5
8
136.68
5
[(1S,4aR,6S,6aS,7R,11aS,11bS)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate
376.50
3.2
2
5
79.9
2
[(1R,2S,6R,10S,11R,13S,15R)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
388.50
1.2
2
6
100.9
3
4-Methylcyclohexanol
114.19
1.8
1
1
20.23
0
Dorsomorphin
399.50
3.4
0
5
55.55
6
Stachydrine
143.18
1
0
2
40.13
0
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