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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
2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5,7-dihydroxychromen-4-one
422.50
5.4
4
6
111.13
3
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[2,3-h]chromen-4-one
422.50
4.8
3
6
100.13
4
Decuroside V
424.40
-0.8
5
10
159.05
4
[(3R,3aR,5aR,5bR,7aS,11aR,13aS,13bR)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-11a-yl]methanol
426.70
9.1
1
1
20.23
2
(10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
428.70
8.1
0
2
34.14
6
Thalrugosine
608.70
6.1
1
8
72.86
3
(2S,5'R,6R,7S,9S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
432.60
5.5
2
4
58.92
0
[(3'S,4'R,6'R,11R,15R,17R)-3',4-dihydroxy-6'-methyl-2,9,13-trioxospiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-17,2'-oxane]-4'-yl] acetate
444.40
0.3
2
10
145.66
2
Asperglaucide
444.50
4.4
2
4
84.5
11
Eschweilenol C
448.30
-0.2
6
12
200.26
2
(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-5,6,7,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
452.70
7.5
1
3
54.37
5
(6R,8S)-triacontane-6,8-diol
454.80
13.2
2
2
40.46
27
(5R,8R,9R,10R,13R,14R,16S,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
458.70
7.6
2
3
57.53
4
Karakin
483.34
-2.2
2
15
258.01
13
Capsaicin beta-D-Glucopyranoside
467.60
1
5
8
137.71
12
Malyngamide O
472.10
5.7
0
5
65.07
19
[(1E,3S,4R,6S,9R,11S)-3,9-diacetyloxy-7,11,16,16-tetramethyl-10,14-dioxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7,12-trienyl] acetate
472.50
2.2
0
8
113.04
6
Paleatin A
472.50
6.4
4
6
99.38
9
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
476.40
1.2
5
11
168.28
6
Casearinone A
476.60
4
0
8
105.2
9
Chlorohyssopiflobin A
435.30
0.8
3
7
113.29
5
(2E)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexylidene]propanal
486.70
5.6
3
4
77.76
10
methyl (4aS,6aS,6bR,10R,11R,12aR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
486.70
6.8
2
4
66.76
2
(10R,13S,14S,17S)-17-[(2R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
488.70
4.7
3
5
86.99
3
Macrocarpal J
490.60
5.3
5
7
135.29
7
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