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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
(2R)-6-methyl-2-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-5-enoic acid
454.70
8
1
3
54.37
5
CID 162846080
384.40
0.7
0
6
72.89
2
2-[(2R,4aS,5R,6S,8aS)-2-[(1R)-2-[2-[(2S,4aS,5R,6S,8aS)-5-(carboxymethyl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoyl]oxy-1-hydroxyethyl]-5-(carboxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
720.90
5.4
4
11
176.89
13
4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione
227.21
-0.2
2
3
70.16
1
(4S)-2-hydroxy-4-(hydroxymethyl)-3-(4-hydroxyphenyl)cyclopent-2-en-1-one
220.22
0.3
3
4
77.76
2
6-[[2-[3-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4-methoxyphenyl]-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
654.50
-0.8
9
18
288.66
8
(3R)-3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
218.40
2.9
0
3
75.9
5
4,6-Dimethoxy-11,11-dimethyl-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,12-dione
382.40
4
0
5
61.83
2
(1R,4R,4'R,5'S,6R,6'S,8R,10E,13R,14E,16Z,20R,21R,24S)-4',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,18-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
626.80
5.2
2
8
103.68
3
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
580.50
2.3
6
12
192.44
8
[(2S)-2,3-di(octadec-9-enoyloxy)propyl] icos-11-enoate
913.50
23.5
0
6
78.9
55
3-[(E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid
376.50
6.3
1
4
63.6
8
(1R,2R,3S,4aR,4bR,6bS,8S,10aS,11aS,11bR,13aR)-3-hydroxy-1-(hydroxymethyl)-8-methoxycarbonyl-1,4a,8,11a,11b-pentamethyl-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,4b,5,6b,7,9,10,11,12,13,13a-dodecahydro-2H-indeno[2,1-a]phenanthrene-10a-carboxylic acid
650.80
1.9
6
11
183.21
6
(8R)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
532.50
5.1
5
9
153.75
4
(1S,2R,5S,7R,10S,11R,18S,19S,22S)-7,18-dihydroxy-1,2,6,6,10,17,17-heptamethyl-20-oxahexacyclo[12.10.0.02,11.05,10.015,22.019,22]tetracosa-12,14-dien-21-one
468.70
5.6
2
4
66.76
0
4-[5-(2-Hydroxy-5-prop-2-enylphenyl)-2-methoxyphenyl]but-2-enal
308.40
4.4
1
3
46.53
7
Gal2Me3Me4Me6Me(b1-6)a-Gal1Me2Me3Me4Me
454.50
-1
0
11
101.53
12
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4a,8a-dihydrochromen-4-one
450.40
-0.6
7
11
186.37
3
(3R)-3-ethoxy-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-6,13-diol
314.30
3
2
5
68.15
3
(1R,2S,5R,8R,9R,10R,11S,12S,13S,16S)-8,9,12-trihydroxy-2,10,16-trimethyl-6-methylidene-14-oxatetracyclo[11.2.1.02,11.05,10]hexadecane-3,15-dione
350.40
0
3
6
104.06
0
(5S)-2,4,4-trimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
330.37
-0.2
4
7
116.45
4
(1S,4aS,5S,8aS)-4a-methyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-1,2,3,4,5,8a-hexahydronaphthalene-1-carboxylic acid
286.40
5.1
1
2
37.3
4
(1R,2S,4S,6S,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-10-one
1403.50
-7.2
20
34
541.66
21
(2R,4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol
288.50
6
1
1
20.23
4
(2S,4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol
288.50
6
1
1
20.23
4
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