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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,5aS,9aS,9bR)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
232.32
|
3.3
|
0
|
2
|
26.3
|
0
|
|
|
11,11-Dihydroxysaxitoxin
|
331.29
|
-6.4
|
8
|
8
|
225.27
|
3
|
|
|
[(2S,3R,4S,5R,6R)-2-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[[(2S)-2-methoxy-3-sulfooxypropanoyl]amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-4-carbamoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] hexanoate
|
993.00
|
-2.5
|
10
|
20
|
408.93
|
25
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[[(2S)-2-methoxy-3-sulfooxypropanoyl]amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexanoate
|
950.00
|
-3
|
10
|
19
|
376.84
|
23
|
|
|
3'-Propylspiro[4,5-dihydro-2-benzofuran-3,2'-oxirane]-1-one
|
206.24
|
1.8
|
0
|
3
|
38.83
|
2
|
|
|
9-[[(2S,4S)-9'-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
|
572.60
|
5.2
|
0
|
10
|
115.17
|
6
|
|
|
(2R,3R)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one
|
426.50
|
-0.5
|
6
|
9
|
156.91
|
6
|
|
|
(2R)-4-[2-[(1S,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
|
318.40
|
5.1
|
1
|
3
|
46.53
|
3
|
|
|
C6H11NO3S
|
177.22
|
-1.8
|
2
|
4
|
85.61
|
4
|
|
|
(2R)-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
|
342.30
|
4.1
|
2
|
6
|
89.13
|
1
|
|
|
methyl (2S)-2-hydroxy-2-[(1R,6R,7R,8R,9R,10S,12S,14R,15R,16S,17R,18S,19S,20R)-8,9,18-triacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-20-hydroxy-7,12,17-trimethyl-19-(2-methylpropanoyl)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-2-en-16-yl]acetate
|
844.80
|
0.1
|
2
|
19
|
256.16
|
15
|
|
|
[(1R,2R,3S,4S,6S,10R,11R,13S,15S,16R,17R,18R,19R,23R)-16-acetyloxy-19-(furan-3-yl)-2,4,16-trihydroxy-5,13,18-trimethyl-8,21-dioxo-9,12,14,20,24-pentaoxaoctacyclo[11.10.1.15,11.01,15.03,11.06,10.010,15.018,23]pentacosan-17-yl] acetate
|
646.60
|
-0.9
|
3
|
15
|
206.72
|
5
|
|
|
methyl 2-[(1R,2R,6R,7R,8R,9R,10S,12S,14R,15R,16S,17R,18S,19S,20R)-8,18,19,20-tetraacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-9-hydroxy-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate
|
818.80
|
-0.3
|
1
|
19
|
245.16
|
15
|
|
|
[(1R,2R,6R,7R,8R,9R,10S,12S,14R,15R,16S,18S,19S,20R)-8,18-diacetyloxy-6-(furan-3-yl)-9,19,20-trihydroxy-16-(2-methoxy-2-oxoethyl)-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-15-yl]methyl propanoate
|
748.70
|
-0.9
|
3
|
17
|
233.02
|
12
|
|
|
(8R,9R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrol
|
468.50
|
4.5
|
6
|
7
|
134.52
|
2
|
|
|
[(2R,3S,4S,5R,6S)-6-[[2-(benzoyloxymethyl)-6-methoxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
646.60
|
0.1
|
6
|
15
|
220.13
|
11
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)-6-methoxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxane-3,4,5-triol
|
390.40
|
-2.7
|
5
|
10
|
147.3
|
5
|
|
|
[4-methoxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
|
494.50
|
-0.5
|
4
|
11
|
161.21
|
8
|
|
|
[(1S,2R,5S,6S,10S,11S,13S,14R,17R,18S)-6-(furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,11,15-tetramethyl-14-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-17-yl] (2S)-2-methylbutanoate
|
670.80
|
4.8
|
1
|
11
|
155.64
|
11
|
|
|
[(1R,4S,5S,7R,8S,9S)-5-acetyloxy-4,7-dihydroxy-11-methylidene-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl] 2-methylpropanoate
|
342.34
|
-0.5
|
2
|
8
|
111.52
|
5
|
|
|
methyl (2Z,3S,4S)-4-formyl-2-(hydroxymethylidene)-3-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]hex-5-enoate
|
368.40
|
2.5
|
3
|
5
|
91.42
|
8
|
|
|
2-[2-hydroxy-4-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
|
341.31
|
-1.7
|
5
|
9
|
152.63
|
5
|
|
|
(3S,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-carbonitrile
|
383.30
|
-1.1
|
4
|
10
|
158.7
|
4
|
|
|
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-phenylprop-2-enoate
|
602.60
|
0.6
|
6
|
13
|
201.67
|
12
|
|
|
1H-Pyrrolo[2,1-b]quinazolin-9-one, 3-hydroxy-2,3-dihydro-
|
202.21
|
0.4
|
1
|
3
|
55.12
|
0
|
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