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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
2-methyl-4-[(Z,16R,17R)-2,8,16,17-tetrahydroxydotriacont-12-enyl]-2H-furan-5-one
608.90
10.4
4
6
107.22
30
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
610.50
-2
11
16
280.43
6
3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
610.50
-0.7
10
16
269.43
6
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
611.50
11
15
270.75
7
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
610.50
-1.4
9
16
258.43
7
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
610.50
-1.1
10
16
269.43
7
(3,12-Diacetyloxy-5-benzoyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl) benzoate
610.60
3.3
2
11
154.89
10
4-hydroxy-3-[4-[[(1S)-7-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]benzaldehyde
610.70
5.4
2
9
100.93
9
(3S,4S,5R)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
297.30
1.5
2
3
60.77
3
(-)-Neoclausenamide
297.30
1.5
2
3
60.77
3
(3R,4R,5R)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
297.30
1.5
2
3
60.77
3
(+)-Cis-Neoclausenamide
297.30
1.5
2
3
60.77
3
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-14-acetyloxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-6-(5-oxo-1,2-dihydropyrrol-4-yl)-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate
611.70
2.6
1
9
126.46
9
8-hydroxy-5,10-dimethoxy-3-methyl-3-[(E)-2-(1,3,5-trihydroxy-9-oxoxanthen-2-yl)ethenyl]-2H-[1,4]dioxino[2,3-c]xanthen-7-one
612.50
5.7
4
12
178.26
4
(E)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]prop-2-en-1-one
612.50
-1.1
11
16
276.52
9
2(5H)-Furanone, 5-methyl-3-[2,5,11,13-tetrahydroxy-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-
612.90
7.4
5
8
136.68
26
Muricatin B
612.90
7.6
5
8
136.68
26
Indigo
262.26
2.7
2
3
65.45
1
Androstenediol 3-acetate
332.50
4.1
1
3
46.53
2
trans-Triacontyl-4-hydroxy-3-methoxycinnamate
615.00
17.2
1
4
55.76
33
[(1S,2R,3R,4R,5S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-6-en-4-yl] 3,4-dimethoxybenzoate
615.70
0.7
3
11
136.38
10
2-(dimethylamino)-N-[1-[(16E)-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(20),16,18,21-tetraen-6-yl]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide
615.80
4.3
2
6
111.29
8
2-[(6S,6aR,10aR)-1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
616.70
7.8
5
8
136.66
3
Glycobismine B
618.70
6.5
4
9
141.85
3
[(2R,3S)-3-[(1S,7R,8S,9S,10R,13R,14S,17R)-1-acetyloxy-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] 3-methylsulfanyl-3-oxopropanoate
618.80
5.4
1
9
144.8
11
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