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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
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13R,15S,17R)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
811.00
3.7
3
12
154.1
10
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
638.60
-0.8
8
16
247.43
8
17-Norkaur-15-ene-3,12-dione, 13-methyl-, (8I(2),13I(2))-
300.40
3.9
0
2
34.14
0
Atis-13-en-3-one, 16-hydroxy-, (5I(2),8I+/-,9I(2),10I+/-,12I+/-)-
302.50
3.8
1
2
37.3
0
1-Oleoyl-2-palmitoyl-3-linoleoyl-sn-glycerol
857.40
21.6
0
6
78.9
51
TG(16:0/18:1(9Z)/18:3(9Z,12Z,15Z))
855.40
20.9
0
6
78.9
50
[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
885.40
22.6
0
6
78.9
53
1-Palmitoyl-2-linoleoyl-3-stearoyl-glycerol
859.40
22.5
0
6
78.9
52
(1aS,1bS,6aS,7S,7aR)-7-(2-hydroxypropan-2-yl)-1b,4-dimethyl-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one
250.33
1.4
1
3
49.83
1
(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one
412.50
-0.2
4
8
128.98
4
2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
646.60
1.2
7
14
221.9
14
2-(3,4-dihydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
646.60
1.2
7
14
221.9
14
2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
630.60
1.5
6
13
201.67
14
(13S,14E,15S)-15-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione
790.80
-0.1
8
18
269.82
6
[(4aS,6aS,7S,10aR,11aS,11bS)-6a-hydroxy-4,4,8,11b-tetramethyl-3,9-dioxo-5,6,7,10a,11,11a-hexahydro-4aH-naphtho[2,1-f][1]benzofuran-7-yl] acetate
388.50
1.8
1
6
89.9
2
(3S,4aR,6aS,7S,10aR,11aS,11bS)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-3,4a,5,6,7,10a,11,11a-octahydro-2H-naphtho[2,1-f][1]benzofuran-1,9-dione
364.40
0.1
3
6
104.06
0
(1S,3R,8S,10S,11R,12S,15S,17S)-15-hydroxy-5,12,16,16-tetramethyl-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-6-one
346.40
1.6
1
5
71.59
0
6,8-Dimethoxy-2-methyl-3-(2-methylpropyl)chromen-4-one
276.33
3.5
0
4
48.67
4
5,6-Dimethoxy-2-propan-2-yl-1-benzofuran
220.26
3.4
0
3
31.6
3
2,7-dimethyl-6-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-5-ol
326.50
6.6
1
2
29.46
4
(2R,3R,10R,11R)-3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),5,7,9(18),13,15-hexaene-7,15-diol
452.50
4.6
4
6
99.38
2
6,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one
668.60
5.5
6
13
209.49
3
(1R)-7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
327.40
3.7
0
4
30.93
5
(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-ol
371.40
3
1
6
60.39
4
(6aS)-1,2,3,9,10-pentamethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde
399.40
2.8
0
6
66.46
5
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