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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
5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
466.50
5.6
2
7
94.45
6
(1S,4aS,10aR)-1-(2-methoxy-2-oxoethyl)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
358.50
4.9
1
4
63.6
5
(2S)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-4-methylpentanoic acid
403.40
3.9
2
5
96.6
5
(1S,4aS,10aR)-7-hydroxy-1-(2-methoxy-2-oxoethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
332.40
3.4
2
5
83.83
4
2-(Furan-2-ylmethyl)-3,4-dihydroisoquinolin-2-ium-6,7-diol
244.27
1.2
2
3
56.61
2
(2S)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
451.50
4.5
1
5
85.6
6
(2R)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
451.50
4.5
1
5
85.6
6
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-7,8-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(3-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1141.30
1.9
11
23
364.65
16
cyclo[Arg-Arg-Pro-Ile-Cys(1)-Tyr-Lys-Asn-Gly-Leu-Pro-Ile-Cys(2)-Gly-Glu-Thr-Cys(3)-Val-Phe-Gly-Lys-Cys(1)-Asn-Thr-Pro-Gly-Cys(2)-Ser-Cys(3)]
3096.60
-9.7
41
47
1349.57
39
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(3-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1127.30
3.1
11
22
347.58
16
(1S,4aS,10aR)-1-(2-methoxy-2-oxoethyl)-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
356.50
5.1
1
4
63.6
5
(2S)-2,6-bis(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)hexanoic acid
690.70
5.6
3
8
155.9
9
(2R)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
437.40
4.1
2
5
96.6
5
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1169.30
3.2
10
23
353.65
18
(2S)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-4-methylsulfanylbutanoic acid
421.50
3.2
2
6
121.9
6
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-diacetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(3-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1227.40
2.7
10
25
379.95
20
[(2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl] acetate
339.50
4.7
1
4
55.4
13
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-8,10-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-7-(3-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1145.30
2.3
12
23
367.81
17
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
516.70
3.4
2
7
94.45
4
(1S,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1-(2-methoxy-2-oxoethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
374.50
3.5
2
5
83.83
5
cyclo[Arg-Val-Leu-Cys-Tyr-Lys-Asn-Gly-Lys-Pro-Ile-Cys(1)-Gly-Glu-Thr-Cys(2)-Leu-Leu-Gly-Lys-Cys-Tyr-Thr-Pro-Gly-Cys(1)-Thr-Cys(2)-Gly-Lys]
3187.80
-7.3
44
49
1381.74
44
(2S)-3-(4-hydroxyphenyl)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)propanoic acid
467.50
4.1
2
6
105.83
6
(5R)-5,15-dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11,13,15,17-hexaene-7,9-dione
294.30
3.5
0
4
56.51
0
7,8-Dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
292.30
3.5
2
4
66.76
1
(1S,4aS,10aR)-7-acetyl-1-(hydroxymethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
316.40
2.9
2
4
74.6
3
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