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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
17-(5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
430.70
5.6
3
3
60.69
4
(4S)-4-[(4R)-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]chromen-4-yl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
482.50
4.7
0
6
86.74
1
2,5-Bis(3,4-dihydroxyphenyl)furan-3-carbaldehyde
312.27
2.4
4
6
111.13
3
(3,4-Dihydroxyphenyl)(3,6,7-trihydroxynaphthalen-1-yl)methanone
312.27
2.7
5
6
118.22
2
(3,4-Dihydroxyphenyl)[3-(beta-d-glucopyranosyloxy)6,7-dihydroxynaphthalen-1-yl]methanone
474.40
0.9
8
11
197.37
5
(4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-ynyl]-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
460.40
0.8
7
10
169.3
4
(3S,3aS,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
262.30
0.4
1
4
63.6
1
methyl (1R,19S)-8,16-diazahexacyclo[10.6.1.110,12.01,9.02,7.016,19]icosa-2,4,6,8,13-pentaene-10-carboxylate
320.40
2.1
0
4
41.9
2
methyl (1R,19S)-6-methoxy-8,16-diazahexacyclo[10.6.1.110,12.01,9.02,7.016,19]icosa-2(7),3,5,8,13-pentaene-10-carboxylate
350.40
2
0
5
51.13
3
methyl (1R,19S)-5-methoxy-8,16-diazahexacyclo[10.6.1.110,12.01,9.02,7.016,19]icosa-2(7),3,5,13-tetraene-10-carboxylate
352.40
2.4
1
5
50.8
3
(1R,2R,4aR,4bR,7R,8S,8aR)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol
336.50
2.1
4
4
80.92
3
(3aR,5aR,6S,7R,9aR,9bR,11aR)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol
318.40
2.5
2
3
49.69
1
(2R,3R,4S,5S,6R)-2-[[(3aR,5aR,6S,7R,9aR,9bR,11aR)-7-hydroxy-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-6-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
480.60
0.3
5
8
128.84
4
(13bS)-2,11,12-trimethoxy-1,2,5,6,8,9-hexahydroindolo[7a,1-a]isoquinolin-3-one
329.40
1.5
0
5
48
3
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
393.60
7.5
1
1
29.1
16
22,23-Dihydroergosterol, non-irradiated
398.70
8.2
1
1
20.23
5
(4aS,5R,6S,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
332.40
4.9
1
4
63.6
4
5-Hydroxy-2,7-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carboxylic acid
302.40
4.9
2
4
66.76
4
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(4S)-4-hydroxy-5,5-dimethylcyclohexen-1-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
442.70
7.9
2
2
40.46
1
(1R,2S,3R,6R,7R,8S)-1-methyl-5-methylidene-8-propan-2-yl-11-oxabicyclo[4.4.1]undecane-2,3,7-triol
270.36
0.9
3
4
69.92
1
Chrysin 7-O-beta-gentiobioside
578.50
-0.9
8
14
228.97
7
[(1R,2R,3S,4S)-2-(2,4-dihydroxybenzoyl)-3,4-bis(4-hydroxyphenyl)cyclobutyl]-(2,4-dihydroxyphenyl)methanone
512.50
5.2
6
8
155.52
6
1,7-Dihydroxy-4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,2-dihydronaphtho[2,3-e][1]benzofuran-6,11-dione
370.40
1.6
4
7
124.29
2
4-(Hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,2-dihydronaphtho[3,2-e][1]benzofuran-6,11-dione
338.40
2
2
5
83.83
2
2-(2-Hydroxypropan-2-yl)-4-methyl-1,2-dihydronaphtho[3,2-e][1]benzofuran-6,11-dione
322.40
3.2
1
4
63.6
1
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