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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,7R,10R,11S,15S,18R,23S)-11-methyl-5-oxa-13-azahexacyclo[11.9.1.01,7.07,15.010,23.018,22]tricos-21-en-4-one
|
341.50
|
3.5
|
0
|
3
|
29.54
|
0
|
|
|
(E)-14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]-2-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]tetradec-2-enal
|
576.90
|
10.1
|
4
|
5
|
81.59
|
24
|
|
|
methyl (1S,14S,15Z,18S)-18-(acetyloxymethyl)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
424.50
|
2.1
|
1
|
6
|
88.7
|
5
|
|
|
(1S,2S,4S,7R,8S,11R)-6-ethyl-6',11-dihydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
|
358.40
|
-0.1
|
2
|
6
|
91.59
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxynaphthalen-1-yl)oxyoxane-3,4,5-triol
|
322.31
|
0.4
|
5
|
7
|
119.61
|
3
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol
|
500.40
|
-1.5
|
9
|
13
|
218.99
|
6
|
|
|
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one
|
532.50
|
1.5
|
4
|
12
|
162.6
|
7
|
|
|
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[[6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one
|
664.60
|
0
|
6
|
16
|
221.52
|
10
|
|
|
Cyclolaudenol
|
440.70
|
10.4
|
1
|
1
|
20.23
|
5
|
|
|
(2s)-1-(1h-Indol-3-Yl)-3-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine
|
397.50
|
3.7
|
3
|
4
|
92.61
|
6
|
|
|
(2S)-4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-uran-5-one
|
548.90
|
12.8
|
2
|
4
|
66.76
|
28
|
|
|
D-Lysergic acid amide
|
267.33
|
1.6
|
2
|
2
|
62.12
|
1
|
|
|
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] octadecanoate
|
446.70
|
10.3
|
1
|
4
|
55.76
|
21
|
|
|
(2S,3S,4aS,6R,7S,8S,8aR)-2-(4-hydroxy-3-methoxyphenyl)-3,6-bis(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
|
358.34
|
-1.2
|
5
|
9
|
138.07
|
4
|
|
|
methyl (1R,9S,12R,13Z)-13-ethylidene-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-triene-18-carboxylate
|
338.40
|
0.6
|
0
|
5
|
58.97
|
2
|
|
|
(1R,12R,13R,16S,17S,18R)-17-(hydroxymethyl)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-ol
|
356.50
|
1.2
|
2
|
4
|
57.86
|
1
|
|
|
1-[(1R,12R,13R,14S)-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-14-yl]propan-2-one
|
326.40
|
1.6
|
1
|
3
|
45.47
|
3
|
|
|
(1R,2S,7S,9R,10S)-6-acetyl-2-hydroxy-1'-methylspiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-2'-one
|
354.40
|
-0.3
|
2
|
5
|
78.87
|
1
|
|
|
(1R,2S,7S,9R,10S)-2-hydroxy-1',5-dimethyl-2'-oxospiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-6-carbaldehyde
|
354.40
|
-0.1
|
2
|
5
|
78.87
|
1
|
|
|
(1R,12R,13R,18R)-6-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde
|
366.50
|
2.3
|
0
|
4
|
43.7
|
2
|
|
|
(1R,12R,13R,18R)-6-methoxy-3,16,20-trimethyl-11-oxo-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde
|
380.40
|
1.8
|
0
|
5
|
60.77
|
2
|
|
|
(1R,12R,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-11-one
|
380.40
|
1.6
|
0
|
5
|
60.77
|
2
|
|
|
beta-Patchoulene
|
204.35
|
4.3
|
0
|
0
|
0
|
0
|
|
|
(1R,2R,3R,6S,8S,10R,12R)-12-hydroxy-3,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
|
294.30
|
0.3
|
1
|
6
|
85.36
|
0
|
|
|
(1R,2R,3R,6S,8S,10R,11R,12R)-11,12-dihydroxy-3,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
|
310.30
|
-0.6
|
2
|
7
|
105.59
|
0
|
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