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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
methyl 3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
314.29
-0.6
4
8
125.68
5
(2S,3S)-N-[(2S)-1-[(3S,7S,10S,13E)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)-3-methylpentanamide
617.80
4.9
3
6
120.08
9
(3S,7S,10S,13E)-10-benzyl-6-[(2S)-3-methyl-2-(methylamino)butanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
490.60
3.4
3
5
99.77
5
5-[(2R,3R)-4-[(2R,3R,4R,5S)-4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
924.90
8.8
10
13
229.99
8
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1213.30
-3.8
17
28
445.44
18
(1S,2R,4S,5R,10S,11S,13R,14S,15R,18R)-14-hydroxy-5-[(1R)-1-hydroxyethyl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
364.30
-1.3
2
8
118.12
1
methyl 8-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]octanoate
271.40
2.7
2
4
58.56
9
(1S,2R,4S,5R,10S,12R,13R,14R,17R)-12-chloro-13-hydroxy-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
460.90
-1.1
2
9
141.87
3
(1R,2S,4R,5R,10R,11S,17S)-11-hydroxy-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
426.50
-1.4
2
9
141.87
3
Sinapic acid 4-O-sulfate
304.27
0.9
2
8
127.74
6
(1R,2R,4R,6R,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
422.50
3.7
1
5
80.04
1
(-)-Isolariciresinol
360.40
2
4
6
99.38
5
(4aR,11bR)-7-hydroxy-4,4,11b-trimethyl-8-methylidene-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-9-one
312.40
5.6
1
3
46.53
0
Durallone
394.40
4
0
6
67.13
4
(3beta,4alpha,22beta)-22-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
1221.40
-0.3
15
26
412.82
13
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
905.10
0.7
11
18
287.14
12
(1S,2R,4S,6S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-8-one
261.36
1.9
1
3
40.54
0
(2R,3R,4S,5S,6R)-2-[[(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
572.80
6.4
4
6
99.38
8
(1R,2S,5R,8S,9R,14S,17R,18R,21S,24R,26S)-5,14-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaheptacyclo[16.9.2.01,5.02,24.08,17.09,14.021,26]nonacosa-11,15-diene-4,10,22,29-tetrone
528.50
0.8
2
10
145.66
0
[(2S,9R,10R)-9-acetyloxy-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-10-yl] acetate
454.50
2.9
0
8
97.36
6
2,3,6-Trimethylbenzaldehyde
148.20
2.5
0
1
17.07
1
[(1R,2'R,7R,8aS)-1,2',8a-trimethylspiro[1,2,3,5,6,8-hexahydronaphthalene-7,3'-oxirane]-2'-yl]methanol
236.35
2.4
1
2
32.76
1
(4R,4aS,6R)-3',3',4,4a-tetramethylspiro[4,5,7,8-tetrahydro-3H-naphthalene-6,2'-oxirane]-2-one
234.33
2.1
0
2
29.6
0
4-(5,16,24-Trihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-4-yl)-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol
847.00
12.7
6
8
139.84
1
Calendoflavobioside 5-O-glucoside
772.70
-3.1
13
21
348.58
9
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