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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
15-(5,6-Dimethylhept-1-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
426.70
9.9
1
1
20.23
5
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
486.80
9.1
1
3
46.53
6
Dammaradienyl acetate
468.80
10.5
0
2
26.3
6
Zizyberanalic acid
470.70
7.5
2
4
74.6
3
3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-7,10-dione
361.40
5.2
1
3
59.16
3
5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
472.60
7.7
1
2
39.18
3
1-methoxy-2-[(9-methoxycarbazol-3-yl)methyl]-3-methyl-9H-carbazole
420.50
7.5
1
2
39.18
4
Cichoriolide A
248.32
1.6
1
3
46.53
0
5a,9-dimethyl-3-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
410.50
0
4
8
125.68
3
(3aS,5aS,8S,9bS)-5a,9-dimethyl-3-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
410.50
0
4
8
125.68
3
4-Hydroxy-3,6-dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
440.40
-2.2
5
10
162.98
4
3,6-Dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
424.40
-1.2
4
9
142.75
4
4-Hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
278.30
-0.6
2
5
83.83
1
(1R,6S,7S)-6,8,8-trimethyl-2-methylidenetricyclo[5.2.2.01,6]undecane
204.35
5.1
0
0
0
0
Cynaroside A
444.50
-0.8
6
10
166.14
4
Cynaratriol
282.33
0.8
3
5
86.99
1
(3S,3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
426.50
-1.1
5
9
145.91
3
[(1S,3S,4R,4aS,8S,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-7-oxo-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,8-hexahydronaphthalen-1-yl] benzoate
452.50
3.6
1
6
89.9
5
3-[(E)-2-[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
284.40
6.2
0
1
13.14
2
2,3-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-10,11-diol
327.40
2.6
2
5
62.16
2
(3aR,8aR,9aR)-8a-methyl-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-5-carbaldehyde
246.30
2.3
0
3
43.37
1
(3aR,4aR,8aR,9aR)-8a-methyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-5-carbaldehyde
246.30
2.4
0
3
43.37
1
(x)-2-Heptanol glucoside
278.34
0.7
4
6
99.38
7
Olean-12-ene-28-carboxy-3beta-hexadecanoate
695.10
15.4
1
4
63.6
17
Alnustin
328.30
3.5
1
6
78.13
4
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