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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
Sterculynic acid
290.40
5.5
1
2
37.3
14
3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
550.70
1.3
4
9
134.91
4
17-Ethyl-3-methyl-3,15,20-triazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,13(18),14,16-heptaene
303.40
2.8
1
2
29.85
1
Sudachitin
360.30
2.6
3
8
118.59
4
Sugeonol
234.33
2.1
1
2
37.3
0
Sugiresinol
286.32
2.2
3
4
69.92
2
Sumaresinol
472.70
6.1
3
4
77.76
1
(4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
374.34
-2
5
10
155.14
4
(3R,4S,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
374.34
-2
5
10
155.14
4
1,2-Dihydroxy-6,8-dimethoxy-xanthone
288.25
2.7
2
6
89.13
2
Methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate
486.60
1.7
2
8
123.27
4
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
372.40
-1.3
5
9
138.07
7
methyl (1R,12S,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
336.40
3.4
1
4
41.57
3
2-(3-Hydroxy-4-methoxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
478.40
0.7
7
12
199.51
5
Tamarixin
478.40
0.7
7
12
199.51
5
(3aS,6E,9R,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
248.32
1
1
3
46.53
0
Hanphyllin
248.32
1
1
3
46.53
0
(3S,4R,4aR,5S,6R,6aR,6bR,8S,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,5,6,8-tetrol
506.70
4
6
6
121.38
2
Isotaraxerol
426.70
9.3
1
1
20.23
0
Tasmanone
252.31
2.2
0
4
60.44
3
4-Epivulgarin
264.32
1.2
1
4
63.6
0
Tauremisin
264.32
1.2
1
4
63.6
0
(1S,2S,3R,5S,8R,9R,10R)-1,2,5,9,10-pentahydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-13-one
366.40
-1
5
6
118.22
0
(3R,3aS,6S,7aS)-3a-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-3,6,7,7a-tetrahydro-2H-indol-3-ol
333.40
0.8
2
6
71.39
3
methyl (4R,5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
686.70
-2.2
8
17
260.59
14
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