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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
Enniatin B1
653.80
6.9
0
9
139.83
7
(5aR,9R,10R,11aR,11bS)-10-hydroxy-9-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-11a-methyl-3-(2-methylfuran-3-yl)-1,5a,6,8,9,10,11,11b-octahydrobenzo[g][2]benzoxepin-5-one
939.00
1.8
5
19
242.12
13
Lutein dimyristate
989.60
24.6
0
4
52.6
38
Methylprotodioscin
1063.20
-0.7
12
22
335.06
15
Celogenamide A
1092.20
-0.4
12
14
361.82
18
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9,10-dibenzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
1169.30
4.6
11
22
347.58
15
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
172.18
1.3
2
2
59.81
1
Myrioxazine A
181.27
2.1
0
2
12.47
0
2-Methyl-3-pentanol
102.17
1.8
1
1
20.23
2
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-
194.31
2.9
1
1
20.23
2
Paniculidine C
203.28
2.9
2
1
36.02
4
methyl (E)-3-(5-hydroxy-2-methoxyphenyl)prop-2-enoate
208.21
1.8
1
4
55.76
4
3-Butanoyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
222.24
0.9
1
4
63.6
3
(3E,6R,7R,9Z,12E)-pentadeca-3,9,12-trien-1-yne-6,7-diol
234.33
2.9
2
2
40.46
8
(1R,5R,8R)-8-hydroxy-8-[(E,3S)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
240.29
-0.6
2
4
66.76
2
Koeniginequinone A
241.24
2.3
1
3
59.16
1
2-Methyl-3-pentanone
100.16
1.5
0
1
17.07
2
2-Hydroxybutyric acid
104.10
0.1
2
3
57.53
2
Vellosimine
292.40
2
1
2
36.1
1
(4aS,10aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene
298.50
6.8
0
1
9.23
2
Cardanol
298.50
7.6
1
1
20.23
12
5alpha-Androstane-3,7,17-trione
302.40
1.8
0
3
51.21
0
3'-O-methyltricetin
316.26
1.4
4
7
120.36
2
[(1R,2S,6R,7S,12R)-2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-en-6-yl]methanol
320.50
3.9
1
3
38.69
2
Atroviridin
326.30
3.4
3
6
100.13
0
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