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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
10-Acetoxy-8,9-epoxythymol isobutyrate
|
292.33
|
2.5
|
0
|
5
|
65.13
|
7
|
|
|
2-[(2R,4aS,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol
|
220.35
|
3.4
|
1
|
1
|
20.23
|
1
|
|
|
Hydroxyconiferyl alcohol
|
196.20
|
0.8
|
3
|
4
|
69.92
|
3
|
|
|
2,4,5,6-Phenanthrenetetrol
|
242.23
|
3
|
4
|
4
|
80.92
|
0
|
|
|
Sterculic acid
|
294.50
|
5.8
|
1
|
2
|
37.3
|
15
|
|
|
5-ethyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol
|
272.40
|
4.9
|
2
|
2
|
40.46
|
3
|
|
|
Tamsulosin
|
408.50
|
2.7
|
2
|
7
|
108.26
|
11
|
|
|
(3S)-6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
|
209.20
|
-2
|
4
|
5
|
89.79
|
1
|
|
|
3,5-Dihydroxy-4-methoxybenzaldehyde
|
168.15
|
0.6
|
2
|
4
|
66.76
|
2
|
|
|
Planinin
|
370.40
|
2.8
|
0
|
6
|
55.38
|
4
|
|
|
(1R,2S,4S,7E,8S,9R)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
354.40
|
1.7
|
0
|
4
|
42.01
|
1
|
|
|
[(1R,2E,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate
|
348.40
|
1.7
|
1
|
6
|
82.06
|
3
|
|
|
methyl (4aR,5aR,6S,10aR)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
|
428.50
|
1.6
|
1
|
7
|
86.33
|
4
|
|
|
[2-[(2S,4aR,4bS,8aR)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethyl] acetate
|
364.50
|
3.8
|
2
|
4
|
66.76
|
4
|
|
|
7-[(1R,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
|
334.40
|
4.1
|
1
|
4
|
55.76
|
2
|
|
|
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one
|
426.70
|
7.2
|
1
|
2
|
37.3
|
5
|
|
|
[(1S,4R,7S,9R,13R)-16-hydroxy-11-(hydroxymethyl)-4,8,8,15-tetramethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] 3-phenylprop-2-enoate
|
480.60
|
4.4
|
2
|
6
|
96.36
|
5
|
|
|
Methyl 5-ethoxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
432.40
|
-2.5
|
5
|
11
|
164.37
|
8
|
|
|
(1S)-3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
CID 129316856
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl ester
|
456.50
|
1.3
|
1
|
8
|
88.54
|
6
|
|
|
(1R,2S,9R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
262.35
|
1.2
|
0
|
2
|
43.37
|
0
|
|
|
(1S,2S,5S,6R,9S,10R,15S)-5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
|
428.60
|
6.7
|
1
|
3
|
38.69
|
4
|
|
|
(5R,9S,10R,13S,14S,17R)-17-[(3S)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
472.70
|
5.8
|
2
|
4
|
66.76
|
2
|
|
|
Eudesma-4,11(13)-dien-12-oic acid;gamma-Costic acid
|
234.33
|
3.6
|
1
|
2
|
37.3
|
2
|
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