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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
2,4,4'-Trihydroxydihydrochalcone
258.27
2.4
3
4
77.76
4
Scabequinone
260.28
3
0
4
56.51
1
methyl (E)-3-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
266.38
3.3
1
3
46.53
3
2,5-Dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
270.32
4.9
2
3
57.53
5
(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol
270.36
0.6
3
4
69.92
0
1,3-Benzodioxole-5-nonanoic acid
278.34
4.7
1
4
55.76
9
(1R,5R,6R,7S)-1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid
290.27
-0.1
3
6
104.06
3
3,4-Dihydroxycinnamic Acid Phenethyl Ester
284.31
4.2
2
4
66.76
6
(E)-2-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-4-hydroxybut-2-enal
302.50
4.5
1
2
37.3
4
Vanylglycol
184.19
-0.7
3
4
69.92
3
Supinine
283.36
0.5
2
5
70
6
(1S,4aR,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
318.40
2.6
2
3
57.53
2
[6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate
823.00
1.8
5
15
209.13
9
Nimbin
540.60
2.3
0
9
118.34
8
Madecassol
959.10
0.1
12
19
315.21
10
1,3,5-Trihydroxy-4-(3-hydroxy-3-methylbutyl)xanthone
330.30
3
4
6
111.13
3
Megistonine I
331.40
3.5
1
6
77.76
5
Rishitin
222.32
1.9
2
2
40.46
1
Proanthocyanidin
592.50
2.7
9
12
209.76
4
(1S,4aS,4bR,7S,8S,8aR,10S,10aS)-2-ethenyl-8-(hydroxymethyl)-1,4b,8-trimethyl-4a,5,6,7,8a,9,10,10a-octahydro-4H-phenanthrene-1,7,10-triol
336.50
2.1
4
4
80.92
2
Selenodiglutathione
691.60
10
16
368.24
22
methyl (4S,4aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylate
342.40
4.7
1
4
59.67
2
[(9S,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
344.40
2.6
1
6
85.97
3
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
346.37
-0.7
5
8
136.68
4
Cerasonine
353.40
2.7
1
5
69.92
3
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