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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4R,5S,7S,8R,9R,12S,13R,14R,16R,18S)-5,7-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
|
472.50
|
0.8
|
2
|
8
|
115.43
|
2
|
|
|
methyl 3-[(1R,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
|
520.70
|
2.3
|
4
|
7
|
124.29
|
6
|
|
|
(1R,2R,5S,10R,11R,14R,15S,18S,23S)-2,7,7,10,14,15-hexamethyl-21-methylidene-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
|
496.70
|
6.5
|
1
|
4
|
55.76
|
1
|
|
|
(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,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-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-5-one
|
1091.20
|
-0.6
|
14
|
23
|
374.13
|
12
|
|
|
(4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione
|
456.70
|
4.3
|
2
|
4
|
74.6
|
1
|
|
|
(4aR,5S,8S,8aS)-8-(3-hydroxyprop-1-en-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
|
250.33
|
3.1
|
2
|
3
|
57.53
|
3
|
|
|
(1S,4aS,8aS)-1-hydroxy-4-[2-(3-hydroxy-5-methoxyoxolan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
366.50
|
2.9
|
2
|
5
|
75.99
|
4
|
|
|
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-14-yl] benzoate
|
706.80
|
6.5
|
0
|
9
|
110.5
|
11
|
|
|
3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one
|
301.40
|
6.2
|
1
|
3
|
42.09
|
8
|
|
|
[(2R,4aR)-5-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-3,4-dihydro-2H-naphthalen-2-yl] acetate
|
436.50
|
2.5
|
2
|
7
|
102.29
|
7
|
|
|
[(2R,4aR)-8-hydroxy-5-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4-dihydro-2H-naphthalen-2-yl] acetate
|
418.50
|
2.9
|
1
|
7
|
99.13
|
6
|
|
|
[(1R,3S,5R,7R,8E,11S)-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-7-yl] acetate
|
306.40
|
1.8
|
0
|
5
|
65.13
|
2
|
|
|
4-[2-[(4S,4aR,6R,8aS)-4,6-dihydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2-methoxy-2H-furan-5-one
|
378.50
|
2.1
|
2
|
6
|
93.06
|
4
|
|
|
(1S,8S,9R,10S)-8-methyl-5-oxido-13-aza-5-azoniatetracyclo[8.7.0.01,6.012,17]heptadeca-5,12(17),13,15-tetraen-9-ol
|
272.34
|
-0.2
|
1
|
3
|
59.19
|
0
|
|
|
[(3S)-2-[(1S,4S,6S)-4-acetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
|
390.50
|
4.1
|
0
|
6
|
82.2
|
9
|
|
|
(1R,4aR,6aR,6bS,8aR,12aS,14R,14aS,14bS)-1,8a,14-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione
|
472.70
|
3.4
|
3
|
5
|
94.83
|
0
|
|
|
(1S,2S,10R,11S,13S,15R)-11-methoxy-15-methyl-17-oxa-6-azapentacyclo[9.5.1.01,6.02,10.02,13]heptadecan-10-ol
|
293.40
|
1.9
|
1
|
4
|
41.93
|
1
|
|
|
(1S,4S,5R,6S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one
|
261.36
|
1.5
|
1
|
3
|
40.54
|
0
|
|
|
3,5-bis[(2S)-1-methylpyrrolidin-2-yl]pyridine
|
245.36
|
1.6
|
0
|
3
|
19.37
|
2
|
|
|
[(1R,2S,5R,6S)-6-(hydroxymethyl)-6-methyl-4-oxo-2-bicyclo[3.1.1]heptanyl]methyl benzoate
|
288.34
|
1.9
|
1
|
4
|
63.6
|
5
|
|
|
(3R,8S,9Z)-pentadeca-1,9,14-trien-4,6-diyne-3,8-diol
|
230.30
|
2.8
|
2
|
2
|
40.46
|
7
|
|
|
(1R,4aS,8aR)-4-[2-(furan-3-yl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-1,5,6,8a-tetrahydronaphthalene-2,7-dione
|
330.40
|
2.5
|
1
|
4
|
67.51
|
3
|
|
|
[(3S,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate
|
482.70
|
8.7
|
0
|
3
|
43.37
|
2
|
|
|
(1S,3R,7R,9R,13S)-13-hydroxy-1-methyl-6,10-dimethylidene-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-5-one
|
264.32
|
1.3
|
1
|
4
|
55.76
|
0
|
|
|
4-[2-[(1R,3S,3aS,7aS)-1-methoxy-4,4,7a-trimethyl-3-propanoyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-yl]ethyl]-2H-furan-5-one
|
364.50
|
3.9
|
0
|
5
|
61.83
|
6
|
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