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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
3,6,8-Trihydroxy-1,1-bis(3-methylbut-2-enyl)xanthene-2,9-dione
396.40
5
3
6
107.97
4
1,3-Di-tert-butylbenzene
190.32
5.8
0
0
0
2
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
348.21
-3
5
10
189.83
4
2,7,8-Trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-dione
338.30
2.6
4
7
128.2
1
(1R,2S,4S,7R,8S)-6-[(E)-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
460.50
2.9
1
6
80.59
4
Nigellidine
294.30
2.9
1
4
47.16
1
3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
486.40
-0.8
6
11
183.19
4
7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
502.40
-1.2
7
12
203.42
4
2,13-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-1-ol
349.30
4.4
1
6
70.04
2
[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
716.60
3.5
11
16
284.36
5
2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
490.50
5.1
2
5
86.68
2
2-Hydroxy-7-(1-hydroxyethylidene)-10,15,15-trimethyl-16-oxa-10-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),4,11,13,17-hexaene-6,8,19-trione
393.40
2.3
2
7
105.83
0
5-hydroxy-3-methyl-1H-benzo[f][2]benzofuran-4-one
214.22
2.1
1
3
46.53
0
Epifriedelanol acetate
470.80
10.7
0
2
26.3
2
[(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl] acetate
470.80
10.7
0
2
26.3
2
Methyl pheophorbide b
620.70
2.4
2
10
139.01
8
methyl (3R,21S,22S)-16-ethenyl-22-(3-ethoxy-3-oxopropyl)-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
620.70
3.4
2
9
121.94
9
methyl (3R,21S,22S)-16-ethenyl-22-(3-ethoxy-3-oxopropyl)-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
634.70
2.7
2
10
139.01
9
3-[14,16-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
943.10
-0.1
9
19
282.21
10
Card-20(22)-enolide, 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxy-, (3beta,5beta,16beta)-
943.10
-0.1
9
19
282.21
10
Cyclododecyne
164.29
5.3
0
0
0
0
4-Hydroxyphenazine-1-carboxylic acid
240.21
1.8
2
5
83.31
1
2,2-Dimethylchroman
162.23
2.9
0
1
9.23
0
molybdopterin-AMP
724.60
-5.4
11
21
423.88
9
(6S)-6-[(2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
226.23
-1.4
5
6
110.27
2
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