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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
(5Z)-3-Methyl-5-[4-[(2S)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
317.40
2.7
0
5
55.84
5
(1S,4S,5R,9S,10R,13R,14S)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
320.50
4.9
2
3
57.53
2
Cordiaquinone K
322.40
3.4
0
3
51.21
3
Acetylmollugin
326.30
3.7
0
5
61.83
4
2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
204.18
1.6
1
4
59.67
0
Galopiperone
340.50
5.4
0
3
43.37
5
Zanthoxyl flavone
346.30
2.5
4
8
129.59
3
Orobanchol
346.40
1.6
1
6
82.06
2
4-[4-Methyl-5-(3-oxo-3-phenylprop-1-ynyl)-2-phenylfuran-3-yl]but-3-yn-2-one
352.40
5.3
0
3
47.28
4
methyl (2S,3R)-3-[(R)-cyano(phenyl)methoxy]-2-hydroxy-3-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]oxypropanoate
353.32
0.1
2
9
135.31
11
1,4-Methanoazulen-7(1H)-one, octahydro-1,5,5,8a-tetramethyl-
220.35
3.9
0
1
17.07
0
methyl 4-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-1-methoxy-9H-carbazole-3-carboxylate
355.40
3.6
2
5
80.78
6
(2R,3R,9S,10S)-10-ethoxy-12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-one
356.50
4.9
0
4
48.67
4
Ricinine
164.16
0
0
3
55.02
1
9-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-11H-pyrano[2,3-a]carbazole-8-carbaldehyde
361.40
5.9
2
3
62.32
3
2-[(2R,4aS,5R,6S,8aS)-2-ethenyl-6-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetic acid
366.50
3.6
1
5
72.83
6
(1R,5S,8R,9R)-8-(3,4-dimethoxyphenyl)-5-methoxy-9-methyl-3-prop-2-enyl-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
372.40
3.3
0
6
71.06
6
5-Ethoxy-sorgoleone
372.50
6.4
1
4
63.6
14
[(1S,2Z,4R,8R,9R,11S,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
378.40
1.1
2
7
102.29
3
methyl (1S,4S,5R,9S,10R,13R,14R)-14-acetyloxy-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate
390.50
4.5
0
5
69.67
5
[(1R,2R,3R,5S,8R,9R,10R)-2,5,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
392.50
0.7
3
6
104.06
2
Feigrisolide C
400.50
2.8
2
7
102.29
3
[(3aR,4R,6E,10E,11aR)-4-acetyloxy-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl (Z)-2-methylbut-2-enoate
402.40
2.2
0
7
95.97
7
Lariciresinol acetate
402.40
3
2
7
94.45
8
(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7S,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
402.50
1.4
5
7
119.61
4
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