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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
DIBOA beta-D-glucoside
343.29
-1.6
5
9
149.15
3
(1S,11R,13R,16S,18S)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
345.40
1.8
0
6
49.39
2
Oxypalmatine
367.40
3.1
0
5
58.92
4
Fargesin
370.40
2.8
0
6
55.38
4
Wodeshiol
386.40
0.6
2
8
95.84
2
(4R)-4-[(3S)-3-hydroxybutyl]-5,5-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
388.50
-0.9
5
8
136.68
7
(4aR,6S,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
426.50
-1
5
9
145.91
3
Passifloricin A
440.70
7.5
3
5
86.99
20
(3R,3aR,5aR,5bS,7aS,8S,11aS,11bR,13aS,13bR)-8-hydroxy-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-one
442.70
8.5
1
2
37.3
1
1-[(1S,2R,5S,9S,11R,13R,17R)-5-[[(2S,4S,9aR)-2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-11-methyl-6,14-diazapentacyclo[7.6.2.02,7.02,13.013,17]heptadec-6-en-14-yl]ethanone
451.70
4.1
0
3
35.91
2
(1R,4S,5S,9R,10S,13S,14R,16R,17S,22R)-4,9,10,14,17,20,20-heptamethyl-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosane-8,23-dione
454.70
7.6
0
3
43.37
0
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-one
458.50
2.2
4
8
125.68
3
3-[(3S,3aS,5aS,6R,7S)-3,3a,6-trimethyl-3-[(2R)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
468.70
7.2
1
4
63.6
7
(6R,6aS,11R,11aR)-11-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol
470.50
4.4
6
7
130.61
2
Adenanthin C
476.60
2.6
1
8
116.2
6
[5-(5-Hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate
478.40
4.9
1
9
113.66
8
[(1S,2S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-6,15-dihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
478.60
2.1
2
8
119.36
6
9-methoxy-7-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
504.40
0.8
4
12
166.51
6
4-Galloylchlorogenic acid
506.40
0.7
8
13
231.51
8
Atractyloside I
576.60
-1.4
8
13
215.83
7
(2R,3R,4S,5S,6R)-2-[[(2R,3R,4aR,6R,8aS)-3-hydroxy-8a-methyl-4-methylidene-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
578.60
-1.9
9
13
218.99
7
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
584.50
1.4
9
14
247.81
6
Isovaleramide
101.15
0.4
1
1
43.09
2
(2S)-eriodictyol 7-O-(6''-O-galloyl)-beta-D-glucopyranoside
602.50
0.8
9
15
253.13
7
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
618.90
9
4
5
97.99
11
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