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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(9R)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
|
258.27
|
2
|
3
|
4
|
69.92
|
1
|
|
|
(s)-4-Methoxy-9,10-dihydrophenanthrene-2,5,9-triol
|
258.27
|
2
|
3
|
4
|
69.92
|
1
|
|
|
2-[(2R)-1-carbamimidoylpyrrolidin-2-yl]acetic acid
|
171.20
|
-0.7
|
3
|
3
|
90.41
|
3
|
|
|
Sigmoidin D
|
372.40
|
2.4
|
4
|
7
|
116.45
|
1
|
|
|
(1R,4aR,7aR)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
374.34
|
-2.7
|
6
|
10
|
166.14
|
5
|
|
|
7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
|
608.50
|
-0.3
|
8
|
15
|
238.2
|
7
|
|
|
3-(3-hydroxy-4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
446.40
|
0.6
|
5
|
10
|
159.05
|
5
|
|
|
[(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
|
805.80
|
0.5
|
1
|
19
|
252.75
|
13
|
|
|
(2R)-4-[(2S,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.7
|
3
|
7
|
105.45
|
25
|
|
|
methyl (1S,4aR,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
|
404.40
|
-2.8
|
6
|
11
|
175.37
|
6
|
|
|
4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan
|
314.30
|
2.7
|
2
|
5
|
75.99
|
3
|
|
|
Picropodophyllin-1-ethyl ether
|
442.50
|
2.9
|
0
|
8
|
81.68
|
6
|
|
|
1,3,6,7-tetrahydroxy-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
438.30
|
-0.1
|
8
|
12
|
210.51
|
3
|
|
|
(3S,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-1,6,10,14,18-pentaen-3-ol
|
358.60
|
8.3
|
1
|
1
|
20.23
|
13
|
|
|
(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione
|
348.40
|
0.1
|
2
|
6
|
100.9
|
0
|
|
|
(1S,2R,5S,9S,10R,11R,12R,15R)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.02,10.05,9]pentadec-6-ene-3,8,14-trione
|
318.40
|
0.4
|
1
|
5
|
80.67
|
0
|
|
|
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
406.40
|
-2.7
|
6
|
11
|
175.37
|
5
|
|
|
dimethyl (2S,3Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)butanedioate
|
412.40
|
3.6
|
0
|
8
|
89.52
|
8
|
|
|
(3aR,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
|
264.32
|
1.3
|
1
|
4
|
63.6
|
0
|
|
|
(1R,2R,4S,7E,11R)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
248.32
|
2.3
|
0
|
3
|
38.83
|
0
|
|
|
(4S,5S)-4-hydroxy-3,3,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one
|
388.50
|
-0.7
|
5
|
8
|
136.68
|
5
|
|
|
2-Carboxy-D-arabinitol 1-phosphate
|
276.14
|
-4.7
|
7
|
10
|
194.79
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
781.00
|
2.5
|
8
|
13
|
207.99
|
6
|
|
|
Panaxacol
|
278.40
|
3.9
|
2
|
3
|
57.53
|
10
|
|
|
3-(2-Hydroxyethyl)quinazolin-4(3H)-one
|
190.20
|
0
|
1
|
3
|
55.12
|
2
|
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