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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
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3,5-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
300.30
-0.1
5
7
119.61
3
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
751.00
4.3
7
12
195.6
5
5,7-dihydroxy-4-[(1R)-1-hydroxypropyl]-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)chromen-2-one
388.50
4.2
3
6
107.97
7
(3S,5S,8R,9S,10S,13R,14S,17S)-5,14-dihydroxy-3-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
872.90
-2.9
9
19
290.05
11
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
872.90
-2.9
9
19
290.05
11
5-hydroxy-7-methoxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
478.40
0.9
5
11
164.37
6
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,10R,12S,13S,16S,18R)-6,10-dihydroxy-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1099.20
-2.2
16
25
406.75
16
[(1S,3aR,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate
468.80
9.9
0
2
26.3
3
(13S)-6,8,17,19-tetrahydroxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
436.50
4.7
4
7
120.36
2
9H-carbazole-1,3,4-trione
213.19
1.4
1
3
67
0
[7,8-Dihydroxy-6-[2-(8-hydroxy-5,7-dimethoxy-4,9-dioxobenzo[f][1]benzofuran-3-yl)ethyl]-1-oxoisochromen-3-yl] acetate
536.40
4.4
3
12
182.94
7
(1R,2R,4S,6R,8S,9R,11R,12S,16R,17R)-8,11,16-trihydroxy-2-methoxy-13,13-dimethyl-7-methylidene-3-oxapentacyclo[7.7.1.16,9.01,12.04,17]octadecan-10-one
378.50
0.3
3
6
96.22
1
methyl (1S,2R,3S,4R,5R,6S,8R,11R,12R,15S,16S,21R,22R,23R,24S)-3,4,23,24-tetraacetyloxy-22-(acetyloxymethyl)-11-hydroxy-2,5,15,21-tetramethyl-9-methylidene-19-oxo-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate
788.80
2.4
1
16
216.86
13
methyl 2-[(1R,3R,7S,8S,9S,12R,13S)-13-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
502.60
1
1
9
125.43
4
(1R,8R,9S,13S)-8-(hydroxymethyl)-12-methylidene-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,14-dioxatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
438.40
-2.4
5
10
155.14
5
(1S,8R,9S,13S)-8-(hydroxymethyl)-12-methylidene-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,14-dioxatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
438.40
-2.4
5
10
155.14
5
(1R,2R,20R,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-methoxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
948.70
1.5
15
26
444.18
1
(1R,4S,5R,9S,10R,12R,13S)-13-hydroxy-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
336.50
2.4
3
4
77.76
2
(4-Hydroxy-3-methylbut-2-enyl) 2-hydroxybenzoate
222.24
1.9
2
4
66.76
5
(2S)-2-[[(2R)-1-[[(2S,3S)-1-[[(Z)-[(4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[[(1S,3S)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
866.90
-2.1
10
14
319.05
16
5-[[(3R,4S)-4-[(S)-hydroxy-(3-hydroxy-4-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol
360.40
2.4
3
6
88.38
6
2-[(1S,6R)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]acetic acid
186.16
-1.3
3
5
94.83
2
[(1S,2R,4R,5S,6R,8S,10R,11S,12S,14R,15R,16S,19R,20S,21R)-4,20-diacetyloxy-6-(furan-3-yl)-12,19,21-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
660.70
1.3
3
13
191.56
8
(1R,3S,4R,9S,10S,13R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-3,16-diol
304.50
4.2
2
2
40.46
0
[(3S,8R,9S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
653.10
17.2
0
2
26.3
22
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