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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
5-Hydroxyzerumbone
234.33
2.8
1
2
37.3
0
(Z)-7-hydroxynuciferol
234.33
2.7
2
2
40.46
5
(2R,3S,5R)-2,3-epoxy-6,9-humuladien-5-ol-8-one
250.33
2.2
1
3
49.83
0
Isoplatydesmine
259.30
1.9
1
4
51.46
1
Hyperolactone C
270.28
2.9
0
4
52.6
2
Pulchelstyrene A
286.32
3.7
2
4
58.92
5
2-Hydroxy-3-oxopropanoic acid
104.06
-1.1
2
4
74.6
2
Isoabienol
290.50
6.5
1
1
20.23
4
3-[2',6-Dihydroxy-5'-(2-propenyl)[1,1'-biphenyl]-3-yl]-(e)-2-propenoic acid
296.30
3.9
3
4
77.76
5
methyl 2-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetate
312.31
0.4
3
7
105.45
5
Arachidin I
312.40
4.5
4
4
80.92
4
Pulchelstyrene B
316.30
3.7
2
5
68.15
6
1,3,6-Trihydroxy-2,4-dimethoxy-8-methylxanthen-9-one
318.28
2.8
3
7
109.36
2
(1S,2R,4aS,4bS,7R,9S,10aS)-1-(hydroxymethyl)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-2,9-diol
336.50
2.4
4
4
80.92
3
3-(2,4-Dihydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
338.40
3.3
2
5
75.99
1
methyl (E)-3-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
356.32
-0.5
5
9
145.91
6
(4S,6S,7R,8S,11S)-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
358.34
-0.9
4
9
134.91
3
Incarvine C
359.50
3.9
1
5
59
5
(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide
361.60
8.5
1
1
29.1
17
methyl (1S,4aS,4bR,8aS)-8a-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
364.50
2.6
2
5
83.83
3
Vitetrifolin F
364.50
3.6
2
4
66.76
6
(2e,4e,11e)-12-(benzo[1,3]dioxol-5-yl)-N-(3-methylbutyl)dodeca-2,4,11-trien-amide
383.50
6.6
1
3
47.56
12
Lauroside B
404.50
-1.4
6
9
156.91
6
Lupulone A
412.60
6.1
1
4
63.6
7
Phyltetralin
416.50
3.8
0
6
55.38
9
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