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SCFBio, IIT Delhi Hauz Khas, New Delhi

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
(7aS)-7a-hydroxy-2-(2-phenylethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
260.29
1
1
3
60.85
3
[(1S,2S,3aR,5R,6E,11R,12E,13aS)-3a-acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
600.70
6.2
0
8
113.04
8
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] benzoate
596.70
3.9
0
10
134.8
9
(s)-5-Hydroxy-3,4-dimethyl-5-pentylfuran-2(5h)-one
198.26
2.1
1
3
46.53
4
5-[(1R)-1-[(4R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
472.60
6.2
4
6
115.06
7
3-[(1R,4S,7R,10S,13S,16S,19S,22S,25R,28S,31S,34S,40S,46S,52S,55R,61S,64S,67R,70S,73S,79S,82R,85S,88S,91S,94S,97S)-10-(2-aminoacetyl)-13,19,79-tris(4-aminobutyl)-34,40-bis(2-amino-2-oxoethyl)-97-[(2S)-butan-2-yl]-64-(1-hydroxyethyl)-28-[(1R)-1-hydroxyethyl]-4,88,94-tris(hydroxymethyl)-16,85-bis[(4-hydroxyphenyl)methyl]-73-(1H-indol-3-ylmethyl)-52,91-dimethyl-31-(2-methylpropyl)-1a,2,5,8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaoxo-22,70-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-2a,3,6,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazapentacyclo[53.47.4.47,67.425,82.042,46]tetradecahectan-61-yl]propanoic acid
3393.90
-11.7
47
55
1505.34
38
[(1S,3S,8E,10R,12S,16S)-16-hydroxy-5-(methoxymethyl)-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadeca-4,8-dien-3-yl] (E)-2-methylbut-2-enoate
406.40
0
1
8
100.52
5
[(1R,3E,5R,7S,9E,11R,12R,13S,14S)-11-acetyloxy-10-(acetyloxymethyl)-1-hydroxy-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] benzoate
538.60
4.1
1
8
116.2
8
1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-one
252.31
3.4
2
4
66.76
4
(3S,6E)-3,7,11-trimethyldodeca-1,6,10-triene
206.37
6
0
0
0
7
(1S,2S,6S,7R,12R,14S,15S,19S,20R)-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icosa-8,16-diene-10,18-dione
388.50
2.6
0
6
71.06
1
(1S,4S,5R,6R,9S,10S,13S)-5-(hydroxymethyl)-5-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-ol
290.40
4.3
2
2
40.46
1
5,9,10-Trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
328.30
3.4
3
6
100.13
0
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4-acetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-13-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (E)-2-methylbut-2-enoate
572.70
4.1
1
9
128.73
8
1-O-methyl 3-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methyl] propanedioate
396.40
1.2
3
9
131.75
10
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-15-yl] pentanoate
666.80
4.8
1
11
147.8
12
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-15-yl] cyclopropanecarboxylate
650.70
3.9
1
11
147.8
10
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-(3-methylbutyl)-12-oxido-5,7-dioxa-15-aza-12-azoniapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
414.50
2.6
0
5
71.06
4
[(1R,3E,5R,7S,10E,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate
474.60
4.9
1
6
89.9
9
5-[1-[(1aR,7S,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
454.60
7.2
3
5
94.83
6
1-[[4-hydroxy-3-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
626.70
6
3
9
104.09
9
(6aS,12aS,12bS)-11-methyl-2,5,6,6a,12a,12b-hexahydro-1H-chromeno[2,3-g]indolizine-3,12-dione
271.31
1.6
0
3
46.61
0
(1S,3R,5S,7S,9R,10S,12R,14R,15S,17R,18S,19R,22S,23R)-9,10,17,22-tetrahydroxy-7-(hydroxymethyl)-18-methyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
564.60
-1.3
5
11
172.21
3
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
(1S,3R,5S,7R,9S,10S,12R,14R,15S,17R,18S,19R,20R,22S,23R)-9,10,17,20,22-pentahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
564.60
-1.2
5
11
172.21
2
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