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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
1,5,6-Trihydroxy-3-methoxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one
342.30
4.4
3
6
100.13
3
3,4,3'-Tri-O-methylflavellagic acid
360.30
2.3
2
9
128.57
3
(Z)-S-1-Propenyl methanesulfinothioate
136.20
0.6
0
3
61.58
2
nPropyl-S(O)S-Propenyl
164.30
1.5
0
3
61.58
4
R-1-Propenyl 1-propanesulfinothioate
164.30
1.5
0
3
61.58
4
1-(1-Propenylsulfinyl)propyl propyl disulfide
238.40
2.7
0
4
86.88
7
Multifidol glucoside
372.40
0.7
6
9
156.91
6
2-Methylbutanoyl phloroglucinol
210.23
2.5
3
4
77.76
3
2,3-Dihydroxy-2,4-cyclopentadien-1-one
112.08
0
2
3
57.53
0
N-trans-feruloyl-4'-O-methyldopamine
343.40
2.1
3
5
88.02
7
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
343.40
2.1
3
5
88.02
7
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide
343.40
2.1
3
5
88.02
7
3'-bromo-5'-(1-bromopropyl)-2-(1-bromoprop-2-ynyl)spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]
487.00
3.9
0
3
27.69
3
[(E,2S,3S)-3-bromo-1-[(2R,3R,5R)-5-[(1R)-1-bromoprop-2-ynyl]-3-hydroxyoxolan-2-yl]oct-5-en-2-yl] acetate
452.20
3.5
1
4
55.76
9
(2R,3R,5R)-5-[(1R)-1-bromoprop-2-ynyl]-2-[[(2S,3S,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]oxolan-3-ol
489.00
3.7
1
3
38.69
4
(2R,3R,5R)-2-[[(2S,3S,5R)-3-bromo-5-[(1R)-1-bromopropyl]oxolan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-ynyl]oxolan-3-ol
489.00
3.7
1
3
38.69
5
(-)-Thaicanine
371.40
2.9
1
6
60.39
4
Velleral
232.32
3
0
2
34.14
2
6-Hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
168.23
1.4
1
2
37.3
1
[5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
784.80
-1.4
9
19
282.21
15
(2R,3R,4S,5S,6R)-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
330.33
-0.5
5
8
128.84
6
(3S,3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one
266.33
1.1
2
4
66.76
0
[(3aR,4R,6R,6aR,9aR,9bR)-6,8-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
376.40
1.4
2
7
110.13
3
2-O-methyl 4a-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
841.00
1.5
9
16
262.36
10
methyl (E)-4-(1H-indol-3-yl)-2-methyl-4-oxobut-2-enoate
243.26
2.5
1
3
59.16
4
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