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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
methyl (9S,12S,13Z,16S,17R,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
366.50
2.1
1
5
53.01
2
[(1R,2R,4S,7S,8S,11R,12S,13S,15R,17S)-7-(furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-5,19-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-13-yl] acetate
500.60
3.1
1
8
115.57
3
(4R,4aR,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-3-methoxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picen-1-one
454.70
9.5
0
2
26.3
1
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4a-(hydroxymethyl)-4,6a,6b,8a,11,11,14a-heptamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
456.70
7.8
1
3
54.37
1
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,6a,6b,8a,11,11,14a-heptamethyl-1,3-dioxo-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-4a-carboxylic acid
470.70
7.7
1
4
71.44
1
(4R,4aR,6R,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-6-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
456.70
7.8
1
3
54.37
0
4-[[5-[2-[2-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
895.00
4.2
6
15
204.45
15
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxane-3,4,5-triol
460.50
-1.4
7
11
178.53
9
[(1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraen-10-yl]methanol
308.40
2.6
2
3
35.5
1
methyl (12R,13S,14Z)-12-(acetyloxymethyl)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
382.50
1.9
1
5
71.63
5
(4aR,5S,8aS,9aR)-9a-ethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
278.40
3.8
0
3
35.53
2
[(1S,3S,13S,14S,17S,18S,19S,20R,21S,24R,25S)-18,19,21-triacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
719.70
-0.5
2
17
237.45
9
8-(beta-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone
478.40
0.5
7
12
199.51
5
(2R)-2-((1R)-1-((3R,8R,9S,10R,13R,14R,17S)-3,14-Dihydroxy-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta(a)phenanthren-17-yl)-1-hydroxyethyl)-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
488.60
1.6
4
7
124.29
3
[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
362.40
1.5
2
6
93.06
4
[(2E)-2-[(6R,7S)-6-hydroxy-7-[(E,4R)-8-hydroxy-4,8-dimethyl-5-oxonon-6-enyl]-7-methyloxepan-3-ylidene]ethyl] acetate
396.50
1.4
2
6
93.06
10
(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 3-hydroxy-2-methylidenebutanoate
362.40
1.8
2
6
93.06
4
(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
360.36
-1.8
5
9
145.91
4
[(3S,4S,5S,10S,13R,14R,17R)-17-[(2R)-5,6-dimethylhept-5-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
468.80
9.7
0
2
26.3
6
(2S,3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
452.40
3.4
3
9
127.82
4
[(1S,3R,6S,8S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
440.70
9.5
0
2
26.3
6
(1S,8S,9R,10S)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-furan]-2',3-dione
326.30
2.5
0
5
65.74
1
methyl (1R,12R,13Z,18R)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
352.40
1.7
0
5
49.85
2
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaenal
548.80
14.2
0
1
17.07
16
(1R,2S,3S,4S,5S,12S)-12-hydroxy-4-methyl-13-methylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid
508.50
-2.2
7
11
194.21
5
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