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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4aS,6S,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
376.36
|
-1.7
|
6
|
10
|
166.14
|
4
|
|
|
2,7-Phenanthrenediol, 3,4-dimethoxy-
|
270.28
|
3.7
|
2
|
4
|
58.92
|
2
|
|
|
1,5-Dimethoxyphenanthrene-2,7-diol
|
270.28
|
3.7
|
2
|
4
|
58.92
|
2
|
|
|
Urea, N-(2-chloro-4-pyridinyl)-N-phenyl-
|
247.68
|
2.2
|
1
|
2
|
59.22
|
2
|
|
|
Clivonidine
|
299.32
|
2.2
|
0
|
5
|
48
|
0
|
|
|
(4R,5S,7R,25S,26R,29R,30R,31S)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.04,25.07,26.011,16.017,22.033,37]heptatriaconta-1(36),11,13,15,17,19,21,33(37),34-nonaene-31-carboxylic acid
|
970.70
|
0.1
|
14
|
28
|
467.32
|
6
|
|
|
(2S,3S,4S,5S,6S)-2-[(2S,3S,4S,5S,6R)-2-[[(1S,4aR,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
686.60
|
-7.3
|
13
|
20
|
327.6
|
10
|
|
|
(5R,6S,7aS)-6-ethenyl-3,6-dimethyl-5-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-4,5,7,7a-tetrahydro-1-benzofuran-2-one
|
410.50
|
0.7
|
4
|
8
|
125.68
|
6
|
|
|
Aculeatiside A
|
1047.20
|
-1.5
|
12
|
22
|
335.06
|
11
|
|
|
rel-(1R,3S,4S,5S)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
(3S,5S,8S,9S,10R,13R,14R,17S)-3-hydroxy-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
432.70
|
6.6
|
2
|
3
|
57.53
|
5
|
|
|
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
|
338.40
|
3.7
|
2
|
5
|
75.99
|
1
|
|
|
Tenaxin I
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,2R,5S,8R,9S,10R,12R,16R,17S,18S,21S)-16-hydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylate
|
955.10
|
1.1
|
10
|
19
|
301.05
|
11
|
|
|
Camphor (synthetic)
|
152.23
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
2-Hydroxyethyl disulfide
|
154.30
|
-0.5
|
2
|
4
|
91.06
|
5
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
662.90
|
5.1
|
4
|
9
|
127.07
|
9
|
|
|
Sendanolactone
|
466.70
|
5.8
|
0
|
4
|
60.44
|
3
|
|
|
2-methoxy-5-[[(1S)-6-methoxy-2-methyl-7-[2,3,4-trimethoxy-5-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
|
744.90
|
6.6
|
1
|
12
|
109.78
|
14
|
|
|
Haplogenin
|
332.26
|
2.1
|
5
|
8
|
140.59
|
2
|
|
|
Isochandalone
|
404.50
|
5.9
|
2
|
5
|
79.9
|
3
|
|
|
Qsnyuaflcywojs-obfrhmhysa-
|
678.80
|
2.6
|
5
|
11
|
164.37
|
5
|
|
|
Beesioside I
|
720.90
|
3.2
|
4
|
12
|
170.44
|
7
|
|
|
Mukaadial
|
266.33
|
1.7
|
2
|
4
|
74.6
|
2
|
|
|
4-Phenyl-3-buten-2-one
|
146.19
|
2.1
|
0
|
1
|
17.07
|
2
|
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