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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-(Hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid
|
284.27
|
1.2
|
2
|
6
|
92.54
|
3
|
|
|
[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
1
|
|
|
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
290.27
|
0.4
|
5
|
6
|
110.38
|
1
|
|
|
n-Pentylmalonic acid
|
174.19
|
1.5
|
2
|
4
|
74.6
|
6
|
|
|
Acetylcysteine
|
163.20
|
0.4
|
3
|
4
|
105.2
|
3
|
|
|
Caesalmin B
|
388.50
|
2.9
|
1
|
6
|
85.97
|
2
|
|
|
Ethyl vanillate
|
196.20
|
2.1
|
1
|
4
|
55.76
|
4
|
|
|
Chorismic acid
|
226.18
|
0.2
|
3
|
6
|
104.06
|
4
|
|
|
(1R,2S,6S,9S,10S,11S,14R,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
|
415.70
|
5.5
|
2
|
3
|
43.7
|
0
|
|
|
(2S,11bS)-2-[(2S)-1-hydroxybut-3-en-2-yl]-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
|
303.40
|
2.4
|
2
|
4
|
52.93
|
4
|
|
|
Rhazinal
|
322.40
|
2.7
|
1
|
2
|
51.1
|
2
|
|
|
(4aR,5S,8aR)-5-[2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
|
440.70
|
6.9
|
1
|
2
|
37.3
|
3
|
|
|
Macrophyllilactone E
|
248.32
|
2.5
|
1
|
3
|
46.53
|
1
|
|
|
(1R,4S,8R,10R,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
|
384.50
|
2.3
|
1
|
5
|
80.67
|
1
|
|
|
(1R,4R,8S,10S,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
|
384.50
|
2.3
|
1
|
5
|
80.67
|
1
|
|
|
[(1R,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate
|
660.80
|
4.2
|
4
|
10
|
144.14
|
5
|
|
|
Assafoetidnol A
|
398.50
|
3.8
|
2
|
5
|
79.9
|
3
|
|
|
(2S)-5-Hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
|
300.30
|
3
|
1
|
5
|
64.99
|
3
|
|
|
Spiganthine
|
509.50
|
-1.5
|
8
|
10
|
192.93
|
5
|
|
|
(1R,4Z,6R,7S,11Z)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
|
381.40
|
0.9
|
2
|
8
|
113.37
|
1
|
|
|
(1S,2S,4S,5S,6S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
|
263.37
|
1.5
|
1
|
3
|
40.54
|
0
|
|
|
(1S,2S,4R,5R,6S,9S)-5-hydroxy-4-(hydroxymethyl)-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
|
279.37
|
0.8
|
2
|
4
|
60.77
|
1
|
|
|
Arundamine
|
376.50
|
3.6
|
3
|
3
|
56.22
|
7
|
|
|
[(1R,4aS,8R,8aS)-7,8-diformyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
410.50
|
4.3
|
0
|
5
|
69.67
|
7
|
|
|
Isopropyl isobutyrate
|
130.18
|
2
|
0
|
2
|
26.3
|
3
|
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