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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
[(1S,4'R,5R,6S,9R,11R)-4'-formyl-3',3'-dimethyl-10-methylidene-2,6'-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,5'-cyclohexene]-11-yl] acetate
386.40
1.7
0
6
86.74
3
[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate
490.70
9.2
1
4
55.76
8
[(1S,2S,3E,5R,8E)-5-hydroxy-5,9-dimethyl-2-propan-2-ylcyclodeca-3,8-dien-1-yl] (Z)-2-methylbut-2-enoate
320.50
4.4
1
3
46.53
4
2-O-methyl 4a-O-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bS,8aS,9R,10R,11S,12aS,14bS)-10-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2,4a-dicarboxylate
1003.10
-2
12
22
358.58
12
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
426.50
1.3
5
7
127.45
3
(1S,2R,4S,8aR)-1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
556.60
-1.2
7
13
216.58
9
(1S,2R,4S,8aR)-1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
556.60
-1.2
7
13
216.58
9
(2S,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
344.40
2.6
2
4
70.67
1
(1R,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,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]icosane-6,15,19-triol
1115.20
-3.7
17
26
426.98
16
1-[5-Acetyl-2-(2-hydroxypropan-2-yl)-1-benzofuran-7-yl]-3-methylbutan-1-one
302.40
2.7
1
4
67.51
5
H-DL-Lys-DL-Tyr-DL-xiIle-DL-Glu-DL-Asn-DL-Gln-DL-Val-DL-Lys-DL-xiThr-DL-Asn-DL-Phe-OH
1383.50
-8.5
20
22
613.39
47
(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
1045.30
1.2
12
20
324.44
15
2,3,5,7-Tetrahydroxyxanthen-9-one
260.20
1.5
4
6
111.13
0
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
939.10
2.2
5
18
232.89
13
(4R)-5-hydroxy-4,8,8-trimethyl-1,4,9,10-tetrahydropyrano[4,3-f]chromen-2-one
262.30
2.3
1
4
55.76
0
[(3S,5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
482.70
8.3
0
3
35.53
4
2-Heptadeca-10,13-dienylbenzene-1,4-diol
344.50
8.5
2
2
40.46
14
methyl (3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoate
578.60
0.8
2
12
175.26
8
(1S,2S,4R,6R,8S,9S,10R,13R,14R,17S)-8,17-dihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-ene-12,16-dione
484.70
3.7
2
5
83.83
1
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
592.80
3.2
4
9
134.91
3
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
592.80
3.2
4
9
134.91
3
(2R,4aR,10aR)-6,8-dihydroxy-7-(2-hydroxypropan-2-yl)-5-methoxy-2,4a-dimethyl-1-methylidene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
360.40
4
3
5
86.99
2
3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(R)-hydroxy-[(2R,4R,5R)-4-methoxy-5-methyloxolan-2-yl]methoxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one
516.70
3.1
1
7
86.75
5
[(1S,2R,6R,10R,11S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2R)-2-methylbutanoyl]oxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
602.80
5.8
3
8
130.36
15
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2R)-2-methylbutanoyl]oxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
602.80
5.8
3
8
130.36
15
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