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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
1,4,8-Trihydroxy-6-methoxy-2-methy lanthraquinone
300.26
3.2
3
6
104.06
1
[5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxol-4-yl]methanol
355.40
2.5
1
6
60.39
3
2-Ethyl-2-hydroxy-3-oxobutanoate
145.13
0.5
1
4
77.43
2
1,4-Benzoxazine
133.15
1.7
1
2
21.26
0
Methyl 2,3-dihydroxypropanoate
120.10
-1.2
2
4
66.76
3
5-(Hydroxymethyl)-2-(propan-2-yl)phenol
166.22
2
2
2
40.46
2
16-[3-(4-Hydroxyphenyl)prop-2-enoyloxy]hexadecyl 16-[3-(4-hydroxyphenyl)prop-2-enoyloxy]hexadecanoate
805.10
16.6
2
8
119.36
40
5-Methylsulfanyl-1-phenylpent-4-en-2-yn-1-one
202.27
3.2
0
2
42.37
2
Hex-1-en-3-yl butanoate
170.25
2.9
0
2
26.3
7
4-(1-Hydroxyallyl)-2-methoxyphenol
180.20
0.9
2
3
49.69
3
Prodelphinidin B6
414.40
1.8
8
9
171.07
2
2-Methoxy-6-propylphenol
166.22
2.9
1
2
29.46
3
1-(1-carboxypropan-2-yl)-5-[(3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl)methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid
446.50
2.2
3
7
121.13
6
(1S,7R,7aS)-1-[(2R)-1-carboxypropan-2-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid
446.50
2.2
3
7
121.13
6
3,4-Dimethyl-1-hexene
112.21
3.5
0
0
0
3
3,3-Diethoxy-1-propanol
148.20
0.5
1
3
38.69
6
(-)-beta-Curcumene
204.35
4.7
0
0
0
4
2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
344.40
3.8
2
5
68.15
8
Fragransol A
374.40
2.8
2
6
77.38
6
Fragransol B
330.40
2.9
2
5
68.15
5
Fragransin D1
388.50
4
1
6
66.38
6
Fragransin D2
388.50
4
1
6
66.38
6
(2R,3R,4S)-8-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
786.80
5.7
10
13
229.99
5
(2R,3R)-2-(4-hydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
546.50
3.1
8
10
180.3
3
(2S,3S)-2-(4-hydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
546.50
3.1
8
10
180.3
3
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