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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
4'-DemethylHomoharringtonine-13C,d3
531.60
-1.8
3
10
134.99
10
(2S,3S,4R,5R,8R,9S,10R,13S,14S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
350.50
2.7
3
4
77.76
1
CID 102303030
220.35
2.6
1
1
20.23
0
(1S,13S,15R)-6,8-dihydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
464.50
5.4
2
6
93.06
4
3-O-galloyl-beta-d-glucose
332.26
-1.4
7
10
177.14
4
(3S,6aS,6aS,6bR,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14a-octamethyl-2,3,6,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydro-1H-picen-3-ol
426.70
9
1
1
20.23
0
(1S,12S,20R)-15-methoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
341.40
2.3
1
5
70.98
1
(1S,12S,20R)-16-methoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol
341.40
2.3
1
5
70.98
1
[(2S,3R,4R,5S,6S)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-phenylprop-2-enoate
580.50
3
6
12
192.44
7
8-Hydroxy-6-(3-hydroxy-2,4-dimethoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
358.30
2.5
2
8
107.59
4
(4R,4aR,8aS)-6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde
218.33
3.3
0
1
17.07
2
(1R,5S,7R,10R)-10,11,11-trimethyl-4-methylidenetricyclo[5.3.1.01,5]undec-2-ene
202.33
4.8
0
0
0
0
(1R,2S,5R,6R,8R)-1,5-dimethyltricyclo[6.2.2.02,6]dodec-9-ene
190.32
5.1
0
0
0
0
CID 102305890
236.35
2.6
0
2
34.14
3
[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
578.90
10.6
1
4
59.67
17
[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl (Z)-octadec-9-enoate
580.90
11.3
1
4
59.67
18
[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl heptadecanoate
568.90
11.7
1
4
59.67
18
Cylindrocyclophane E
610.90
12.1
4
6
107.22
8
(1S,2S,13R,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
277.36
0.6
2
4
60.77
0
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
784.80
-1.4
9
19
282.21
15
(6R)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
566.90
11.9
1
2
37.3
10
Dillapiol
222.24
2.7
0
4
36.92
4
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
740.70
-1.7
11
19
308.12
8
3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
740.70
-1.7
11
19
308.12
8
(1S,3R,4R,5R)-4-acetyloxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid
396.30
0.2
5
10
170.82
7
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