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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
Jinflexin A
298.40
3.9
2
3
49.69
2
4-Ethenyl-8-(hydroxymethyl)-7-methoxy-3-methyl-9,10-dihydrophenanthren-2-ol
296.40
3.7
2
3
49.69
3
Jinflexin D
512.60
9.3
3
3
60.69
1
(1R,6R,11R,12R,15R,16R)-6-hydroxy-15-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
488.70
5
3
5
94.83
6
(1R,6R,11R,12R,15R,16R)-15-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
650.80
3.4
6
10
173.98
9
(1R,6R,8R,11R,12R,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid
490.70
5.5
4
5
97.99
6
(3R,5R,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
652.90
3.4
7
10
177.14
9
(3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-hydroxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
573.70
4
4
6
127
6
(3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
587.70
4.3
3
6
116
7
(3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-methylpentanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
484.60
4
2
5
90.98
6
(2S)-N-[(3S,4S,7S,10Z)-7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide
670.80
5.2
4
6
137.07
7
2-[(1S,2R)-4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]-1-(4-hydroxy-2-methoxyphenyl)ethanone
372.40
2.4
4
6
107.22
5
methyl 2-[(1S,2S)-4,5-dihydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
402.40
2.6
4
7
116.45
6
2-[(1R,2S)-4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]-1-(4-hydroxy-2-methoxyphenyl)ethanone
372.40
2.4
4
6
107.22
5
methyl 2-[(1S,2R)-4,5-dihydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
402.40
2.6
4
7
116.45
6
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
504.40
1
4
12
174.35
8
(3S)-6,8-dihydroxy-3-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydroisochromen-1-one
300.30
3.7
3
5
86.99
3
[(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxymethanimidate
394.34
-4.6
7
11
260.61
5
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxymethanimidate
394.34
-4.6
7
11
260.61
5
[(1S,3R,4S,5S,6R,8R,10S,22R,23S,24R,25R,27R,30R,31S,32S,33R)-33-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5,24,31,32-pentahydroxy-6,25-dimethyl-20-oxo-10-propyl-2,7,9,21,26,28,34-heptaoxatetracyclo[28.3.1.03,8.022,27]tetratriacontan-23-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
969.10
0.9
8
22
314.58
10
[(1S,3S,5R,6R,7S,8R,20S,22R,24R,25S,26S,27R,29S,31R,32R,33R)-33-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
953.10
1.9
7
21
294.35
10
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate
991.10
3.6
7
21
294.35
13
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate
1019.20
4.7
7
21
294.35
15
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-hydroxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
360.40
3.2
1
5
68.9
2
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-acetyloxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
402.50
3.3
0
6
74.97
4
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