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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
Ganoderone A
454.70
6.4
1
3
54.37
5
(2E,4Z,6R)-6-[(3R,5S,8S,9R,10S,13S,17S)-3,9-dihydroxy-4,4,10,13,17-pentamethyl-1,2,3,5,6,7,8,11,12,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhepta-2,4-dienoic acid
470.70
5.9
3
4
77.76
4
7-[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol
484.50
6.5
3
6
88.38
7
Longipedlactone F
494.60
3.3
2
6
93.06
2
[(2S,3R,4R,5R,6S)-2-[(7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl] acetate
504.40
0.7
4
13
195.33
5
Dichotomain A
510.40
-1.4
4
13
187.51
5
(10S)-10-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-(hydroxymethyl)-10H-anthracen-9-one
510.50
4
6
8
155.52
3
Lancifodilactone I
544.60
0.6
2
10
145.66
1
[2-(3,5-Dihydroxy-4-phenoxycarbonyloxy-phenyl)-5-hydroxy-chroman-7-yl] 3,4,5-trihydroxybenzoate
562.50
4.8
6
12
192.44
8
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-hydroxy-15-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
572.80
7.3
3
6
96.22
5
3-O-Acetyl-alpha-boswellic acid
498.70
8.4
1
4
63.6
3
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1075.20
0.1
13
23
370.97
12
3-Methyl-3-hexanol
116.20
1.9
1
1
20.23
3
D-Isoleucine, 4-hydroxy-, (4R)-
147.17
-2.8
3
4
83.55
3
Cyfusine
176.21
-0.2
1
2
34.03
0
(E)-5-[(3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-3-ene-1,2-diol
236.35
2.3
2
2
40.46
4
(Z)-9-Pentadecenoic acid
240.38
5.9
1
2
37.3
12
lycopodatines C
245.36
1.9
0
2
20.31
0
2-[(1E)-trideca-1,12-dienyl]furan
246.40
6.8
0
1
13.14
11
7-Hydroxy-3-(4-hydroxybenzyl)chroman
256.30
3.4
2
3
49.69
2
18-Norabieta-8,11,13-triene-4,15-diol
288.40
3.5
2
2
40.46
1
2-(1,3-Benzodioxol-5-yl)-5-(3-hydroxypropyl)-1-benzofuran-7-ol
312.30
3.4
2
5
72.06
4
Calopocarpin
324.40
4.2
2
4
58.92
2
Daphniyunnine D
341.40
0.7
1
4
57.61
0
Parvisoflavone A
352.30
3.6
3
6
100.13
1
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