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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
1,5-Dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
515.80
6.2
0
2
18.46
3
(1R,2S,4S,5R,7S,9R)-1',9-dimethyl-2-(2-oxopropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-indole]-2'-one
354.40
1.6
0
4
49.85
2
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
328.40
0.3
2
4
69.64
3
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methylspiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
330.40
0.7
3
4
72.8
3
(1S,2R,7R,9S,10S)-6-acetyl-1'-methyl-2'-oxospiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-12-carbaldehyde
366.40
0.7
0
4
66.92
1
(1'S,2'R,3S,7'R,9'S)-6'-acetylspiro[1H-indole-3,10'-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene]-2-one
324.40
0.6
2
4
67.43
1
(1'S,2'R,3S,7'R,9'S)-5'-methyl-2-oxospiro[1H-indole-3,10'-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene]-6'-carbaldehyde
324.40
0.8
2
4
67.43
1
(3R,6S,8R)-6,8-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one
250.33
0.5
2
3
57.53
1
(3R,6R,8S)-6,8-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one
250.33
0.5
2
3
57.53
1
(3R,6S,8S)-6,8-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one
250.33
0.5
2
3
57.53
1
(3R,8R)-8-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2,3,6,7-tetrahydroazulen-1-one
250.33
0.2
2
3
57.53
1
(3R,8S)-8-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2,3,6,7-tetrahydroazulen-1-one
250.33
0.2
2
3
57.53
1
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-
478.40
0.4
6
11
175.37
5
[(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-[(E)-hex-2-en-2-yl]-1-methoxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate
512.70
6.3
0
6
78.9
6
(E)-3-[(5R,7R,8R,9R,10R,13S,17S)-7-acetyloxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]but-2-enoic acid
454.60
5.6
1
5
80.67
4
4-Methylidenetetradec-2-enal
222.37
6.3
0
1
17.07
11
(E)-2,6-Dimethyl-2,5-heptadienoic acid
154.21
2.5
1
2
37.3
3
(3S,5E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
170.25
1.9
2
2
40.46
4
(E,2R,6R)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
204.26
-0.4
4
4
80.92
5
(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
204.26
-0.4
4
4
80.92
5
Pentadecadienal
222.37
6
0
1
17.07
11
7,7''-Di-O-methyltetrahydrohinokiflavone
570.50
5.4
3
10
140.98
6
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
474.70
6.2
2
4
66.76
2
[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,4R,5R)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
553.20
7.4
2
5
75.99
4
[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,4R,5S)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
553.20
7.4
2
5
75.99
4
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