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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
Auranetin
372.40
3.2
0
7
76.36
6
Veranisatin C
372.32
-2.4
4
10
159.82
2
[(2S)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate
374.40
4.6
0
6
74.97
9
Methyl 2,2-dimethyl-6-phenylmethoxybenzo[h]chromene-5-carboxylate
374.40
5.4
0
4
44.76
5
1,3,7-Trihydroxy-2,4-diisoprenylxanthone
380.40
6.3
3
5
90.9
4
Lepidiumsesterterpenol
382.70
8.2
2
2
40.46
16
(2S,3R,4R,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
390.40
0.7
7
8
150.84
4
2-Isopropyl-6-methoxypyrazine
152.19
2.1
0
3
35.01
2
[(2S)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-hydroxy-3-methylbutan-2-yl] 3-methylbutanoate
392.40
3.3
1
7
95.2
9
1,8-Dihydroxy-3-geranyloxy-6-methylxanthone
394.50
6.5
2
5
79.9
6
1,3,5-Trihydroxy-6-(3-methylbut-2-enoxy)-2-(2-methylbut-3-en-2-yl)xanthen-9-one
396.40
5.9
3
6
100.13
5
Annoglabasin C
406.50
4.6
1
6
89.9
5
(2R,3S,4S)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
412.50
3.1
5
7
135.68
4
[(1R,2S,4S,7R,8S,9S,10S,11R,12R)-8-acetyloxy-12-hydroxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-9-yl] acetate
415.50
2.4
1
6
85.19
4
[(E)-2-[(3S,4R,5S,7S)-7-hydroxy-5-methyl-5-(4-methylpent-3-enyl)-3-(2-oxopropyl)-3,4,6,7-tetrahydro-1H-2-benzofuran-4-yl]ethenyl] 3-methylbut-2-enoate
416.50
3.2
1
5
72.83
9
4-[2-(3-Hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
426.50
6.8
3
4
69.92
8
Fern-7en-3a-ol
426.70
9
1
1
20.23
1
1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]ethanone
430.40
-2.3
6
11
175.37
7
Ilekudinol B
456.70
5.2
3
4
77.76
1
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,15-dione
460.60
2.5
2
6
93.06
0
Sclerotiamide
463.50
1.1
3
5
107.97
0
Sagittarioside a
468.60
2.9
4
7
108.61
5
Coronalolic acid
470.70
7.2
2
4
74.6
10
Iridobelamal A
474.70
5.8
3
4
77.76
13
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(9S)-4,5,9-trihydroxy-2-(hydroxymethyl)-10-oxoanthracen-9-yl]oxan-2-yl]methyl acetate
476.40
-1.2
7
11
194.21
5
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