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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
17-acetoxyjolkinolide B
388.50
2.5
0
6
77.66
3
Sagittine B
420.60
4.6
3
5
79.15
5
chloranthalactone E 8-O-beta-D-glucopyranoside
424.40
-1.2
5
9
145.91
3
Malonganenone A
438.60
5.9
0
3
69.78
12
Dimethyl selenide
109.04
0
0
0
0
(2S)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
460.60
7.4
1
4
55.76
5
[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
476.40
-0.2
5
11
180.05
9
kadlongilactone A
494.60
2.5
2
6
93.06
0
[(9S,10R,11R)-11-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
500.60
5.1
1
8
92.68
8
longipedlactoneH
512.60
2.6
3
7
113.29
2
Lancifodilactone N
542.60
0.7
1
10
134.66
0
6-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
566.50
5.7
4
10
159.8
5
(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
15-O-deacetylnimbolidin B
656.80
3.5
1
11
147.8
12
[(4aS,9S,10R,10aS)-6-acetyloxy-10-[[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-yl]oxy]-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate
668.90
12.4
0
5
61.83
8
5,7-dihydroxy-8-[5-[5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
728.60
3.9
7
15
238.95
8
Pulsatilla saponin D
913.10
2
10
17
274.75
9
[(1S,2S,3'S,4S,4'R,5'R,6S,7S,8R,9S,12S,13R,14R,16R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-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-methyloxan-2-yl]oxy-3',4'-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl] acetate
975.10
-1
11
21
322.67
10
Cycloleonuripeptide F
1032.20
3.9
7
11
267.2
8
Gymnoside IX
1061.00
0.6
10
24
362.88
26
(-)-Elema-1,3,11(13)-trien-12-al
218.33
4.7
0
1
17.07
4
(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
234.33
2.4
1
2
37.3
1
(4R,4aS,6S,8S)-8-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
234.33
2.6
1
2
37.3
1
(2E,4Z)-N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
243.34
3.7
1
1
29.1
7
Oleocanthal
304.34
1.5
1
5
80.67
10
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