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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
Plathymenin
288.25
1.5
4
6
107.22
1
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
574.70
9.6
5
7
131.36
10
3-[(8aS,10aS)-4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
410.50
5.7
3
5
86.99
4
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-6-[2-[4-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxyphenyl]ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
1073.00
-3.9
11
27
401.57
23
6-O-Methacryloyltrilobolide
450.50
2.2
1
9
125.43
7
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
933.10
1.1
12
18
298.14
13
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-6,12-dihydroxy-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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1095.30
-0.5
15
23
377.29
16
Allylpyrocatechol monoacetate
192.21
2.4
1
3
46.53
4
(3E,3aR,4R,8bR)-4-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,5,6,8b-tetrahydro-3aH-indeno[1,2-b]furan-2,7-dione
360.40
0
1
7
99.13
2
Plastoquinone-1
204.26
3.4
0
2
34.14
2
(+/-)-Isocorypalmine
341.40
2.9
1
5
51.16
3
2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohex-4-ene-1,3-dione
644.50
-2.9
12
18
313.82
8
2,6-Di-t-butyl-4-hydroxytoluene
220.35
5.3
1
1
20.23
2
Neopanaxadiol
460.70
7.2
3
3
60.69
4
[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
795.10
11.5
4
12
194.5
38
[(2S,3S,4S,5R,6S)-6-[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
556.70
3.6
5
11
188.43
22
CID 10220146
224.30
0
2
3
57.53
1
(1S,2R,4S,6S)-2,4-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-8-one
277.36
0.5
2
4
60.77
0
2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide
285.34
1.6
3
3
69.56
8
1,2,5,6,7,11c-Hexahydroindolizino[7,8-b]indol-3-one
226.27
1.5
1
1
36.1
0
Azuleno[6,5-b]furan-2,7-dione, 3,5,8-trimethyl-
240.25
1.1
0
3
47.28
0
8-[(2R,3S)-3-hept-6-enyloxiran-2-yl]octa-4,6-diyn-3-one
258.35
4.4
0
2
29.6
9
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
919.10
-0.6
12
19
307.37
12
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
919.10
-0.6
12
19
307.37
12
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1S,2S,4S,8S,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-2-methylbutoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
901.00
-0.4
11
18
287.14
12
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