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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
(3S)-2-hydroxy-3-oxalooxycyclohexa-1,5-diene-1-carboxylic acid
228.16
0.8
3
7
121.13
4
(6S)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
420.50
5.8
3
6
100.13
3
(3R,4R)-3-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
554.60
3.1
5
10
155.14
11
[(1S,2R,4aR,5S,6R,8S,8aR)-2-acetyloxy-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-1-yl]methyl acetate
450.50
2.2
2
8
123.27
8
[(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
415.34
-1.4
5
11
181.89
7
1-methyl-3-[[(1S,5R)-1,3,3-trimethyl-5-(methylcarbamothioylamino)cyclohexyl]methyl]thiourea
316.50
2.5
4
2
112.3
3
5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
640.50
-1.1
10
17
278.66
8
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
624.50
-1
9
16
258.43
7
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
624.50
-1
9
16
258.43
7
5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
786.70
-2.8
12
21
337.58
10
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
564.50
-2.2
10
14
250.97
4
1,8-Dihydroxy-2-(5-hydroxy-7-methoxy-2-methyl-1,4-dioxoanthracen-9-yl)-3-methoxy-6-methylanthracene-9,10-dione
550.50
5.4
3
9
147.43
3
(2S,3R,4S,5R,6R)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
302.28
-1.4
5
8
128.84
4
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
506.50
1.5
5
12
177.51
6
(4R)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
330.37
-0.8
4
7
116.45
4
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
346.37
-2.1
5
8
136.68
5
2,4,4-trimethyl-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]methoxy]cyclohex-2-en-1-one
492.50
-2.5
7
12
195.6
7
(1R,3aS,8aR)-1-methyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulene-4-carboxylic acid
234.33
3.8
1
2
37.3
2
[(1S,4aR,6S,7R,7aS)-6-acetyloxy-7-(acetyloxymethyl)-4a,7-dihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl (2R)-3-methyl-2-(3-methylbutanoyloxy)butanoate
600.70
2.1
2
13
181.19
18
(2R)-N-[(3R,4R,7R,10E)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2S,3R)-2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide
665.80
5.4
3
6
120.08
9
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
446.40
1.5
5
10
159.05
4
(2S,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
462.40
1
7
12
207.35
4
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid
608.50
-0.3
9
16
266.27
6
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
756.70
-2.7
12
20
328.35
9
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
740.70
-2.2
11
19
308.12
8
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