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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-(3-Hydroxyphenyl)-2-propenoic acid
164.16
1.8
2
3
57.53
2
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-[(1S)-1-hydroxypropyl]-8-(2-methylbutanoyl)chromen-2-one
456.60
6.2
3
6
107.97
10
Sagittine C
462.60
4.6
2
6
85.22
7
[(1S,4S,6S,10R,11R)-14-[(1R,2S)-1,2-diacetyloxy-4-methylpent-3-enyl]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradec-13-en-11-yl] acetate
476.60
2.9
0
8
100.66
9
Cereotagalol B
476.70
6.2
4
4
80.92
5
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol
486.50
4.5
6
7
130.61
5
Sagittine F
504.70
5.2
1
7
91.29
9
8-[(1S,2R)-2-hydroxy-1-[(1R,2R)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enoxy]-3-methylbut-3-enyl]-7-methoxychromen-2-one
534.60
4.3
2
9
128.57
10
Sarcaglaboside D
542.60
-1.1
6
12
184.6
9
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (2S)-2-methylbutanoate
546.60
-0.5
6
13
193.83
13
Sapintoxin d
539.60
2.5
4
9
142.39
7
Oblongifolin A
602.80
10.3
3
6
111.9
10
(2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxytetracos-19-en-2-yl]octadecanamide
682.10
14.9
5
5
110.02
38
Formosadimer B
685.00
13.4
1
4
47.92
11
[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
734.70
-1.2
7
18
266.66
9
Manghaslin
756.70
-2.4
12
20
328.35
8
[(2R,3S,4S,5R,6R)-6-[[(3S,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
815.30
15.1
3
7
105.45
25
(2R)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
286.28
2.7
2
5
75.99
2
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5S,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
925.10
1.9
5
18
232.89
13
ginsenoside Rk1
767.00
5.4
8
12
198.76
10
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
767.00
5.4
8
12
198.76
9
4-Hydroxy-methylprolin
145.16
-2.9
2
4
60.77
1
(5E)-5-[[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]methylidene]-1-methylimidazolidine-2,4-dione
238.24
0.2
1
4
75.71
2
(4aR,8aS,9aS)-3,8a-dimethyl-5-methylidene-4,4a,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione
244.28
1.9
0
3
43.37
0
Tryptamine
160.22
1.6
2
1
41.81
2
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