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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
[(E)-4-hydroxy-3-methylbut-2-enyl] 2-hydroxybenzoate
222.24
1.9
2
4
66.76
5
Methyl 3-epi-4,5-didehydrojasmonate
222.28
2
0
3
43.37
6
Annuionone B
222.28
0.4
0
3
43.37
2
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1119.20
0.4
14
24
391.2
13
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]oxycarbonyl-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1271.30
1.6
16
28
457.96
16
1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
222.37
4.1
1
1
20.23
0
2-Methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol
222.37
3.8
1
1
20.23
5
(4E,7Z)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
220.35
3.9
0
1
12.53
0
Humulenol I
220.35
3.5
1
1
20.23
0
(1R,3S)-6-hydroxy-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
318.32
2.1
1
6
82.06
2
(2R,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
344.40
2.6
2
4
70.67
1
7-[[(1S,2S,4aR,5S,8aS)-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]chromen-2-one
382.50
5.5
0
4
56.51
3
(2S,3R,4S,5S,6R)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
436.50
0.8
5
9
138.07
8
methyl (1S,3R,4aS,5aS,6S,10aR)-3-hydroxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
386.40
1.5
2
6
88.1
2
6-O-caffeoyl-beta-glucose
342.30
-0.4
6
9
156.91
5
[1-(3,4-Dimethoxyphenyl)-3-oxodecan-5-yl] acetate
350.40
4
0
5
61.83
13
[6]-Gingerdiol 5-acetate
338.40
4.2
2
5
75.99
12
(13Z)-10-butan-2-yl-6-[2-(3,4-dimethyl-5-oxoimidazolidin-1-yl)-3-methylbutanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(18),13,16-triene-8,11-dione
571.70
2.9
2
7
120.52
6
(5aR,10bR)-10b-[3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-1,3,8-trihydroxy-5aH-[1]benzofuro[2,3-b]chromen-11-one
570.50
4.3
7
12
207.35
2
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-
570.50
-1.9
7
14
217.97
6
[(2S,3R,6R,8S,11R,12R,18R)-18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-5,10,20-trioxo-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-dien-12-yl] acetate
540.50
-0.5
2
11
162.1
3
methyl 2-[(3R,4R)-4-[(1aR,3S,3aR,4R,5R,6R,7aS)-4,5-diacetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate
570.60
2.9
0
10
130.87
9
1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone]
572.00
15
1
3
46.17
30
2-[2-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-6-yl]-4,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one
572.50
4.1
8
12
218.35
3
(4aS,6aR,6aR,6bR,7R,8aR,12aR,14bS)-7-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
470.70
5.8
2
4
74.6
1
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