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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
trans-3-Methylthioacrylamide
|
101.17
|
0.6
|
1
|
1
|
58.11
|
1
|
|
|
3-alpha-O-acetyl-alpha-boswellic acid
|
498.70
|
8.4
|
1
|
4
|
63.6
|
3
|
|
|
2-methoxy-9H-carbazol-3-ol
|
213.23
|
3
|
2
|
2
|
45.25
|
1
|
|
|
Phloraspidinol
|
446.50
|
4.9
|
4
|
8
|
133.52
|
10
|
|
|
12-Phenyldodecanoic acid
|
276.40
|
6.3
|
1
|
2
|
37.3
|
12
|
|
|
[(E)-hex-1-enyl] benzoate
|
204.26
|
4
|
0
|
2
|
26.3
|
6
|
|
|
5-Pentadeca-8,11,14-trienylbenzene-1,3-diol
|
314.50
|
7.2
|
2
|
2
|
40.46
|
12
|
|
|
Arg-arg
|
330.39
|
-6.5
|
7
|
6
|
221.22
|
11
|
|
|
2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione
|
452.70
|
10.7
|
0
|
2
|
34.14
|
15
|
|
|
Eicosa-5,11,14-trienoic acid
|
306.50
|
6.7
|
1
|
2
|
37.3
|
15
|
|
|
4-O-beta-D-Mannopyranosyl-D-mannopyranose
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
2,3-Diepisecasterone
|
446.70
|
5.7
|
2
|
4
|
70.06
|
5
|
|
|
(3R,4aS,6aS,10aR,10bS)-3-ethenyl-3-(hydroxymethyl)-4a,7,7,10a-tetramethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
320.50
|
3
|
1
|
3
|
46.53
|
2
|
|
|
(3R,4aS,6aR,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,7,10a-tetramethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
320.50
|
3
|
1
|
3
|
46.53
|
2
|
|
|
[(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] (E)-2-methylbut-2-enoate
|
552.70
|
5.4
|
1
|
7
|
95.2
|
6
|
|
|
(5S,5aS,11bS,11cS)-9-hydroxy-5,10-dimethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
|
331.40
|
1.1
|
1
|
6
|
68.23
|
2
|
|
|
Kauran-18-oic acid, 16-hydroxy-, (4alpha)-
|
320.50
|
4.5
|
2
|
3
|
57.53
|
1
|
|
|
Conofoline
|
736.90
|
4.9
|
2
|
11
|
111.8
|
7
|
|
|
methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1S,9S,12S,13S,14S,19R)-12-ethyl-13,14-dihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
|
754.90
|
3.9
|
4
|
12
|
139.73
|
7
|
|
|
(1R,2S,3R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-3-ol
|
220.35
|
3.3
|
1
|
1
|
20.23
|
0
|
|
|
(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione
|
330.40
|
1.8
|
1
|
5
|
76.74
|
1
|
|
|
[(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R,13'S)-10'-acetyloxy-2',5',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-13'-yl] acetate
|
452.50
|
0.3
|
3
|
8
|
125.82
|
4
|
|
|
3-[(1S,2S,4aR,4bR,6aR,10bS,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-prop-1-en-2-yl-3,4,5,6,7,8,10b,11,12,12a-decahydro-2H-chrysen-1-yl]propanoic acid
|
440.70
|
9.4
|
1
|
2
|
37.3
|
4
|
|
|
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylate
|
490.40
|
1.4
|
5
|
12
|
185.35
|
6
|
|
|
2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
|
195.17
|
0.3
|
2
|
4
|
67.79
|
1
|
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