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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-[(2S,3S)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
468.50
5.2
5
7
123.52
3
(1S,6S,7S,11S,19S)-11-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-7,19-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[11.6.1.02,10.05,9.017,20]icosa-2,4,9,13(20),14,16-hexaene-4,15-diol
696.70
6.8
8
10
180.3
4
2-[(1S)-3-methylcyclohex-2-en-1-yl]propan-2-ol
154.25
1.9
1
1
20.23
1
(1R,3R,4R,4aS,5'S,8S,8aR)-5'-(furan-3-yl)-1,8-dihydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
380.40
0.7
4
7
120.36
3
(1S,6S,7S,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
362.40
0.7
3
6
100.13
4
[(1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15S,16R,17R,19S)-10-acetyloxy-5,17-dihydroxy-16-[(2S,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate
604.70
1.1
3
11
164.65
8
[(1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15S,16R,19S)-10-acetyloxy-5-hydroxy-16-[(2S,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-11,15-dimethyl-17-oxo-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate
602.70
0.8
2
11
161.49
8
[3-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
565.50
0.1
8
11
200.83
5
[7-(4-hydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
581.50
-0.2
9
12
221.06
5
Norbornyl acetate
154.21
1.9
0
2
26.3
2
3-Hydroxysandaracopimaric acid
318.40
4.8
2
3
57.53
2
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(E,2S)-6-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1095.30
-1.3
15
23
377.29
15
(1R,3S,4R,7S,8E,11R)-4-hydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-8,12-diene-8-carbaldehyde
384.60
4.2
1
3
54.37
5
(1R,4R,5R,6R,9R,11S,13S,14S,17R,22S)-9-(2-hydroxypropan-2-yl)-4,6,13,18,18-pentamethyl-10-oxahexacyclo[12.9.0.01,22.04,13.05,11.017,22]tricosa-2,7,20-trien-19-one
450.70
6.2
1
3
46.53
1
(1S,3R,8R,11S,12S,14S,15R,16R)-14-hydroxy-15-(5-hydroxy-6-methylhept-1-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
456.70
7
2
3
57.53
5
(1S,4aR,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
346.33
-1.1
5
9
145.91
4
methyl (1S,4R,5R,9R,10S,13R)-13-(hydroxymethyl)-5,9-dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
348.50
4
1
4
63.6
3
methyl (1S,4R,5R,9R,10S,13R,14R)-14-hydroxy-13-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
350.50
4.3
2
4
66.76
3
(1S)-1-[(2S,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol
322.50
3
3
3
60.69
2
methyl (13S,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate
338.40
3.7
1
3
45.33
3
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5'-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1047.20
-1.5
12
22
335.06
11
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-5-propan-2-ylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
474.50
-0.5
7
11
178.53
7
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-3-propan-2-ylphenoxy)oxane-3,4,5-triol
328.36
0.8
5
7
119.61
4
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
328.36
0.8
5
7
119.61
4
(1S,5R,8R,9S,13S)-8,12-dimethyl-4-methylidene-2-oxatricyclo[7.3.1.05,13]tridec-11-en-3-one
232.32
3.3
0
2
26.3
0
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