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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2R,5R,6S)-6-acetyloxy-5-benzoyloxy-1,2-dihydroxycyclohex-3-en-1-yl]methyl benzoate
|
426.40
|
2.1
|
2
|
8
|
119.36
|
9
|
|
|
(3E)-undeca-1,3-dien-5,7,9-triyne
|
140.18
|
3.3
|
0
|
0
|
0
|
3
|
|
|
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
|
386.40
|
-1.2
|
5
|
8
|
136.68
|
6
|
|
|
5Z,8Z,11E,14Z,17Z-eicosapentaenoic acid
|
302.50
|
5.6
|
1
|
2
|
37.3
|
13
|
|
|
(1S,3S,6R,7S,8R,11R,12S,14R,15S,16S,19R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,14,19-tetrol
|
492.70
|
5.1
|
5
|
5
|
101.15
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-3-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1051.20
|
-1.3
|
13
|
23
|
355.29
|
11
|
|
|
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
648.90
|
9.1
|
3
|
7
|
113.29
|
8
|
|
|
26-Hydroxycastasterone
|
480.70
|
3.5
|
5
|
6
|
118.22
|
6
|
|
|
3-[(1E)-4-methylpenta-1,4-dienyl]furan
|
148.20
|
3.3
|
0
|
1
|
13.14
|
3
|
|
|
1-[(E)-pent-2-enyl]cyclohexa-1,3-diene
|
148.24
|
3.5
|
0
|
0
|
0
|
3
|
|
|
Ilexlactone
|
152.15
|
-0.1
|
1
|
3
|
46.53
|
0
|
|
|
(E)-S-1-Propenyl thiosulfate
|
154.21
|
0.3
|
1
|
4
|
88.05
|
2
|
|
|
[(2R)-2-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-5-methylhex-4-en-2-yl] 2-methylbutanoate
|
386.40
|
5.1
|
2
|
6
|
100.9
|
7
|
|
|
3-Penta-2,4-diynylphenol
|
156.18
|
2.5
|
1
|
1
|
20.23
|
2
|
|
|
(1S)-1-methyl-2,4-dihydro-1H-2,7-naphthyridin-3-one
|
162.19
|
0
|
1
|
2
|
41.99
|
0
|
|
|
5,8-Dihydroxy-1,4-naphthoquinone
|
190.15
|
1.8
|
2
|
4
|
74.6
|
0
|
|
|
(E)-3-(3-hydroxyphenoxy)prop-2-enal
|
164.16
|
1.2
|
1
|
3
|
46.53
|
3
|
|
|
1-(Ethylthio)ethyl methyl disulfide
|
168.40
|
2.5
|
0
|
3
|
75.9
|
4
|
|
|
Ethyl (ethylthio)methyl disulfide
|
168.40
|
2.4
|
0
|
3
|
75.9
|
5
|
|
|
3-Hexa-2,4-diynylphenol
|
170.21
|
3.1
|
1
|
1
|
20.23
|
2
|
|
|
(s)-12,13-Epoxy-2,4,6,8,10-tridecapentayne
|
178.19
|
2.1
|
0
|
1
|
12.53
|
4
|
|
|
CID 101411820
|
178.27
|
2.7
|
0
|
1
|
9.23
|
0
|
|
|
1-[3-Hydroxy-5-(1-propynyl)-2-thiophenyl]ethanone
|
180.23
|
2.6
|
1
|
3
|
65.54
|
2
|
|
|
[(2S,4aS,5R,6R,8R,8aS)-8-formyloxy-1,1,4a,6-tetramethyl-5'-oxospiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate
|
366.40
|
3.5
|
0
|
6
|
78.9
|
4
|
|
|
(1R,4aR,4bS,6R,7R,10aR)-6,7-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
336.50
|
3
|
3
|
4
|
77.76
|
2
|
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