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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,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-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1253.40
|
-2.3
|
17
|
28
|
453.28
|
15
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate
|
1297.20
|
-2.9
|
15
|
33
|
500.95
|
28
|
|
|
D-threonolactone
|
118.09
|
-1.3
|
2
|
4
|
66.76
|
0
|
|
|
3-(3-Hydroxypropyl)phenol
|
152.19
|
1.5
|
2
|
2
|
40.46
|
3
|
|
|
Deca-4,6-diynoic Acid
|
164.20
|
2.2
|
1
|
2
|
37.3
|
4
|
|
|
(2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid
|
186.25
|
1.9
|
2
|
3
|
57.53
|
6
|
|
|
1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-3,6-dimethyl-, (3S,4S)-
|
190.24
|
1.7
|
1
|
2
|
37.3
|
0
|
|
|
(3S,4R)-4-hydroxy-3,6-dimethyl-3,4-dihydro-2H-naphthalen-1-one
|
190.24
|
1.7
|
1
|
2
|
37.3
|
0
|
|
|
2-(3-methylbut-3-enyl)-7H-purin-6-amine
|
203.24
|
1.8
|
2
|
4
|
80.48
|
3
|
|
|
(4aS,5R)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
|
218.33
|
4.1
|
0
|
1
|
17.07
|
0
|
|
|
(1R,2S,5R,7R,8S)-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
|
222.37
|
4.3
|
1
|
1
|
20.23
|
0
|
|
|
1-Hydroxy-6-methoxy-3-methylcarbazole
|
227.26
|
3.4
|
2
|
2
|
45.25
|
1
|
|
|
6-methoxy-3-methyl-9H-carbazol-2-ol
|
227.26
|
3.4
|
2
|
2
|
45.25
|
1
|
|
|
2-[(2R,4aR)-4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]prop-2-enoic acid
|
232.32
|
3.6
|
1
|
2
|
37.3
|
2
|
|
|
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
|
136.23
|
3.6
|
0
|
0
|
0
|
1
|
|
|
(4Ar,5R,6S,8aR)-3-acetyl-6-hydroxy-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
|
236.31
|
1.7
|
1
|
3
|
54.37
|
1
|
|
|
arenaran B
|
238.37
|
3.2
|
0
|
2
|
21.76
|
0
|
|
|
d-Glycero-d-ido-octulose
|
240.21
|
-4.5
|
7
|
8
|
158.68
|
7
|
|
|
1,6-dimethoxy-3-methyl-9H-carbazole
|
241.28
|
3.7
|
1
|
2
|
34.25
|
2
|
|
|
Furomollugin
|
242.23
|
3.6
|
1
|
4
|
59.67
|
2
|
|
|
Heliannuol B
|
248.32
|
2.9
|
2
|
3
|
49.69
|
1
|
|
|
Ethyl 3-methyl-9H-carbazole-9-carboxylate
|
253.29
|
4.4
|
0
|
2
|
31.23
|
2
|
|
|
Arecaidine
|
141.17
|
-2.3
|
1
|
3
|
40.54
|
1
|
|
|
Gymnasterkoreayne F
|
258.35
|
3.7
|
2
|
2
|
40.46
|
9
|
|
|
Methyl 3-hydroxyhexadecanoate
|
286.40
|
6.1
|
1
|
3
|
46.53
|
15
|
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