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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
1,3,6-Trihydroxy-4-methoxy-8-methylxanthen-9-one
288.25
2.8
3
6
100.13
1
2,3,4,7-Tetramethoxyphenanthrene
298.30
4.3
0
4
36.92
4
4-methoxydianthramide B
301.29
3.3
2
5
84.86
5
[(4aS,7R,8R,8aS)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methanol
302.50
4.9
1
2
33.37
4
Cryptodorine
309.30
2.6
1
5
48.95
0
Dipetalolactone
310.30
3.8
0
4
48.67
0
cyclo(L-tyrosyl-L-phenylalanyl)
310.30
2.3
3
3
78.43
4
Hecubine
310.40
3.3
0
2
20.7
1
(1R,2R,4S,5R,9S,10S,13R)-2-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
318.40
3.9
2
3
57.53
1
(1R,3S,4R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol
322.50
3.5
3
3
60.69
1
3-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
332.40
3.2
1
4
63.6
3
Succinimide
99.09
-1
1
2
46.17
0
(-)-3-Demethylisolariciresinol
346.40
1.7
5
6
110.38
4
(3R,4S,4aR,5S,8R,8aS)-4-[2-(furan-3-yl)ethyl]-5-hydroxy-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-one
348.40
2.1
2
5
83.2
4
(1R,2S,4S,6S,9S,10S,11S,13S)-2,6,11-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione
348.40
1
3
5
94.83
0
Semperoside A
360.36
-1.1
4
9
134.91
3
(2S,3R,10R,13R,14S,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
362.50
0.3
3
5
94.83
1
(3aalpha,6aalpha)-1alpha-(3,4-Dimethoxyphenyl)-4alpha-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan
370.40
2.8
0
6
55.38
4
(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
372.40
2.4
2
7
102.29
6
5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethylpyrano[2,3-h]chromen-4-one
404.50
5.9
2
5
79.9
3
Vibsanin T
416.50
4.2
1
5
76.13
7
Citronellyl hexanoate
254.41
5.7
0
2
26.3
11
Allethrin
302.40
4.8
0
3
43.37
6
(1S,2S,4aR,4bS,7S,8aR,10aR)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde
442.60
5.6
3
5
86.99
1
[3-Acetyloxy-1-(3,4-dimethoxyphenyl)tetradecan-5-yl] acetate
450.60
7.3
0
6
71.06
19
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