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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-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxyquinoline
305.30
4.3
0
4
40.58
3
Flemistrictin F
324.40
3.3
2
4
66.76
3
5-Methoxyisolariciresinol
390.40
2
4
7
108.61
6
(6S,7S,8R)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
390.40
2
4
7
108.61
6
4-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]benzene-1,2-diol
314.40
4.8
2
4
58.92
5
9Z,11E,13-Tetradecatrienal
206.32
4.6
0
1
17.07
10
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside
698.00
10.3
6
8
148.71
32
11-[3-[3,4-Dihydroxy-5-[3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoic acid
1035.10
-1.3
14
25
392.59
26
Caesalpiniaphenol F
332.30
1.8
3
6
88.38
4
Hexadecyl (E)-ferulate
418.60
9.6
1
4
55.76
19
3,4-Dihydroxypipecolic acid
161.16
-3.8
4
5
89.79
1
Myricetin 3-arabinofuranoside
450.30
0.6
8
12
210.51
4
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
450.30
0.6
8
12
210.51
4
Myricetin 3-alpha-L-arabinofuranoside
450.30
0.6
8
12
210.51
4
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
508.40
0.7
7
13
208.74
6
Neosakuranin
448.40
1.1
6
10
166.14
7
(E)-1-[2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
448.40
1.1
6
10
166.14
7
1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol
198.22
-0.2
3
4
69.92
3
1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-5-(4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl)-2,4-dihydro-1H-anthracene-9,10-dione
670.60
-3
10
16
289.04
3
7-Hydroxy-4-methoxy-2,3-methylenedioxyphenanthrene
268.26
3.9
1
4
47.92
1
7,12,16-Trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
412.70
9.4
1
1
20.23
4
31-Norcycloartenol
412.70
9.4
1
1
20.23
4
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
436.40
0
7
10
169.3
4
alpha-Caryophylladienol
220.35
3.3
1
1
20.23
0
Caryophylla-4,8-dien-5-ol
220.35
3.3
1
1
20.23
0
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