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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
cedronolactone B
364.40
0.1
2
7
102.29
1
methyl (1S,15S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
368.50
3.5
1
4
54.56
4
1,4-Dithiane
120.20
1.3
0
2
50.6
0
methyl (3S)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate
374.30
2.1
4
8
133.52
8
methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate
374.40
2.8
1
6
85.97
3
Nigakilactone A
378.50
2
2
6
93.06
1
7-Methoxypraecansone B
380.40
4.3
0
5
53.99
6
(5R,5Ar)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
384.40
2.8
1
7
83.45
3
(1S,3R,12R,13S)-7,9-dihydroxy-13,14,14-trimethyl-8-(3-methylbutanoyl)-4-oxatetracyclo[10.2.1.03,13.05,10]pentadeca-5,7,9-triene-6-carbaldehyde
386.50
5.6
2
5
83.83
4
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one
388.40
2.7
1
8
96.59
6
Rabdocoetsin B
390.50
1.6
2
6
93.06
2
Isophytol
296.50
7.8
1
1
20.23
13
(1S,2R,3R,4S,6R,7R,10R,11R,12R)-2,6,11,12-tetrahydroxy-4,10-dimethyl-4-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one
396.40
-1.9
4
9
142.75
1
20S,21-Epoxyresibufogenin
400.50
3.5
1
5
71.59
1
Cheirolin
179.30
1.3
0
4
86.97
4
(6R,8S,13S,14R,16S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
410.40
-2.4
5
9
153.75
0
(2R,3R)-3,7,10-trihydroxy-2-(2-hydroxypropan-2-yl)-8-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-c]xanthen-6-one
412.40
4.2
4
7
120.36
3
(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
416.50
2.9
0
7
64.61
7
Magnosalin
416.50
4.9
0
6
55.38
8
Iberin
163.30
1
0
4
80.73
4
(3aS,5R,6aR,8S,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
424.40
-1.4
5
9
145.91
3
Kushenol F
424.50
5.8
4
6
107.22
6
(22e)-Stigmasta-4,22-diene-3,6-dione
424.70
7.6
0
2
34.14
5
S-Glutathionyl-L-cysteine
426.50
-7.7
7
12
272.74
14
1,8-dihydroxy-3-[(E)-7-methoxy-3,7-dimethyloct-2-enoxy]-6-methylxanthen-9-one
426.50
5.7
2
6
89.13
8
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