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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
(1S,14S)-5,5-dimethyl-4,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.03,8.015,23.017,21]tetracosa-2(11),3(8),6,9,15,17(21),22-heptaen-9-ol
366.40
3.4
1
6
66.38
0
(-)-3-O-acetylspectaline
367.60
5.8
1
4
55.4
15
Boronolide
370.40
2.4
0
8
105.2
12
1-[(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-3,4,6,7,8,8a-hexahydro-2H-quinolin-1-yl]ethanone
372.60
4.1
0
2
23.55
2
N6-(4-Hydroxybenzyl)-adenosine
373.40
0.8
5
9
145.78
5
Propionate
73.07
0.9
0
2
40.13
0
(S)-Methyl-2-naphthoylamino-3-(4-nitrophenyl)propionate
378.40
4.2
1
5
98.54
6
Hydrogen sulfite
81.07
-1
1
4
79.57
0
(6S,7S,8R)-5,6,7-trimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
382.40
3.7
0
5
46.15
4
Corynoxine
384.50
2.3
1
5
67.87
5
(8aR,10aR)-1,3-dihydroxy-8a-methyl-2-(3-methylbutanoyl)-6-propan-2-yl-7,8,9,10a-tetrahydroxanthene-4-carbaldehyde
386.50
5.1
2
5
83.83
5
(1S,4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,8,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
394.40
-0.9
4
8
133.52
0
Samaderine E
394.40
-1.9
4
8
133.52
0
Cratoxyarborenone B
396.40
5.9
4
6
111.13
4
4,5,14,15,16-Pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaen-8-ol
399.40
4.1
1
7
69.62
5
Pteroside
402.40
1.1
6
8
143.75
4
Cilinaphthalide B
410.40
4.1
0
7
72.45
6
Peperomin E
412.40
3.5
0
8
81.68
5
23-(Furan-2-yl)tricosa-5,7-diynoic acid
412.60
9.4
1
3
50.44
19
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1-propanol
418.50
4.1
1
7
75.61
11
[6-acetyloxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
422.50
1.8
0
8
100.66
11
Isoiguesterol
422.60
5.6
2
3
57.53
1
Butyrate
87.10
1.4
0
2
40.13
1
[2,2-Dimethyl-3-(3-methylbut-2-enoyloxy)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] 3-methylbut-2-enoate
426.50
4.8
0
7
92.04
6
Nirtetralin
430.50
3.6
0
7
64.61
8
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