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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
(8S)-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
436.50
5.6
2
6
85.22
5
4-(Prop-1-en-2-yl)benzaldehyde
146.19
2.8
0
1
17.07
2
(1S,4aS,10aR)-1-(hydroxymethyl)-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
314.40
4.6
2
3
57.53
3
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5,6-dihydroxy-4-methoxyoxan-2-yl]oxy-14-hydroxy-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
520.70
2.1
3
8
114.68
4
(2R)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-4-methylpentanoic acid
417.50
4.2
1
5
85.6
6
(2R)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-4-methylpentanoic acid
403.40
3.9
2
5
96.6
5
8,9-Dihydroxy-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-one
229.23
1.7
2
3
62.46
0
(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-(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
1127.30
3.2
11
22
347.58
16
Euphorblin R
640.70
3.8
0
11
144.03
11
(2S)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-phenylpropanoic acid
437.40
4.1
2
5
96.6
5
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,8,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
656.70
3.3
1
12
164.26
11
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(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
2
12
23
367.81
15
(1S,4aS,10aR)-7-acetyl-1-(2-methoxy-2-oxoethyl)-4a-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
358.40
3.4
1
5
80.67
5
[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
308.40
5.1
1
3
46.53
7
(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-(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
1141.30
2.1
11
23
364.65
16
(2S)-3-(1H-indol-3-yl)-2-(5-methoxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)propanoic acid
490.50
4.6
2
5
101.39
6
1-[3-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]-3-methylbutan-1-one
488.60
6.1
4
8
133.52
10
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-9-[(E)-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
2
12
23
367.81
15
(2S,5R)-2-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-6-ene-2,5-diol
460.70
7.6
3
3
60.69
5
cyclo[Arg-Arg-Pro-Val-Cys(1)-Tyr-Lys-Asn-Gly-Leu-Pro-Ile-Cys(2)-Gly-Glu-Thr-Cys(3)-Leu-Leu-Gly-Lys-Cys(1)-Tyr-Thr-Pro-Gly-Cys(2)-Ser-Cys(3)]
3111.70
-7.2
41
47
1326.71
39
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-7-(3-methylbutanoyloxy)-9,10-bis[[(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
1225.40
3.9
11
24
373.88
19
[(1S,12R,13S,14R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate
520.50
3.3
1
9
109.75
5
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-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
1143.30
2.2
12
23
367.81
16
10,11-Dihydroxy-4-oxo-8-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2-carboxylic acid
336.30
3.3
3
6
104.06
2
(13R)-7-hydroxy-6,15-dioxo-4-phenyl-11-thia-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,7,9-pentaene-13-carboxylic acid
391.40
2.7
2
6
121.9
2
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