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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
Obtusenyne
331.67
5
0
1
9.23
3
Brosimacutin E
340.40
2.6
2
5
75.99
2
5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
342.30
3.7
2
6
89.13
3
2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-
354.40
3.7
0
6
63.22
4
Ophiopogonanone D
370.40
3.2
1
7
91.29
4
(2S,3R,4S,5S,6R)-2-[[(1R,3aS,4S,6S,8aR)-1,6-dihydroxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
374.40
-1.3
6
8
139.84
3
(1R,4S,8R,10S,11R,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
384.50
2.3
1
5
80.67
1
Stevensine
387.03
1.4
4
3
99.59
1
garcimangosone D
392.40
0.7
6
9
156.91
5
methyl 3-[4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoate
412.40
0.2
4
10
148.05
8
Ppohvzsuyivhkl-uhfffaoysa-
438.50
6.8
2
4
58.92
1
(E)-N-[(1R,2S,4R,6R,7S,10S,11R,16R)-7,11-dimethyl-6-[(1S)-1-(methylamino)ethyl]-15-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-14-yl]-2-methylbut-2-enamide
440.60
4.3
2
4
70.73
4
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
448.40
-3.3
8
12
198.76
8
dimethyl (1S,4aS,5S,6R,7R,7aS)-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
450.40
-2.7
6
13
201.67
7
Myristic Acid
228.37
5.3
1
2
37.3
12
(1S,2R,5S,6S,7R,8S,11R)-11-(2-hydroxypropan-2-yl)-6-methyl-10-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-oxatricyclo[6.2.1.02,6]undecane-5-carboxylic acid
460.50
-1.2
6
11
183.21
5
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-13-acetyloxy-9-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate
464.50
1.6
1
8
111.66
5
(2R,3R,4S,5S,6R)-2-[(3R,5R)-7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
494.50
1.3
8
10
180.3
11
Gal(a1-6)Glc(a1-2a)Fruf
504.40
-5.8
11
16
268.68
8
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-13-acetyloxy-4-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate
504.60
2.8
1
8
111.66
6
1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
519.70
5
1
7
114.93
24
(2R,3R,4S,5S,6R)-2-[(3R,5R)-7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
524.60
1.3
8
11
189.53
12
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-4,8-diacetyloxy-7,12,13-trihydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
526.60
-1.4
4
11
169.05
7
acinospesigenin-B
530.70
4.4
3
7
121.13
4
Hexadecane
226.44
8.3
0
0
0
13
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