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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
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-8-acetyloxy-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
484.50
-2
5
10
162.98
5
(3R)-12-[(2S,5S)-5-[(1S)-1-hydroxyethyl]pyrrolidin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodecanoic acid
491.60
-0.7
7
10
168.94
16
5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
508.40
0.7
7
13
208.74
6
Aristophyll B
564.70
5.1
2
6
109.96
8
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
566.30
-6.3
9
17
316.61
9
Capsanthin-3,6-epoxide
600.90
10
2
4
66.76
11
(2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
622.90
9.5
3
7
105.45
25
Deacetylserrulatin B
656.70
3.9
1
12
168.8
11
2-Chloroacrylic acid
106.51
1.2
1
2
37.3
1
coumaroyl(-1)[coumaroyl(3-OMe)(-6)]Fruf(b2-1a)Glc
664.60
-0.2
8
16
251.36
14
[(3S,5S,6S,8S,10S,13S,14S,17S)-6-hydroxy-17-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
512.70
3.3
3
7
129.51
7
Cheirotoxine
712.80
-2.3
8
15
242.13
7
(2E)-(2-Ethyl-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene)acetaldehyde
201.22
1.1
0
2
37.38
2
Linalool oxide acetate (trans)
212.28
2
0
3
35.53
4
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
216.32
4
0
1
17.07
4
1-Bisabolone
220.35
4.1
0
1
17.07
4
(2R,3S,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)oxane-2,5-diol
222.24
-1.5
2
6
77.38
4
(7R,9aR)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
222.37
4.1
1
1
20.23
0
1-(2-Hydroxy-4,6-dimethoxyphenyl)butan-1-one
224.25
2.6
1
4
55.76
5
N-methoxy-3-formylcarbazole
225.24
3.2
0
2
31.23
2
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methylcyclohex-2-en-1-one
226.27
-0.7
3
4
77.76
2
Benzyl 3-hydroxybenzoate
228.24
3.6
1
3
46.53
4
(4aR,8aS,9aR)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
232.32
2.9
0
2
26.3
0
15alpha-Hydroperoxy-guaia-1(10),11-diene
236.35
3.4
1
2
29.46
3
10alpha-Hydroperoxy-guaia-1,11-diene
236.35
3.5
1
2
29.46
2
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