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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,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-[(E)-4-methoxy-4-methylpent-2-enyl]-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
582.80
6.8
1
6
89.9
11
(1S,9R,14S,15S,16S)-5,14-dimethoxy-9-oxido-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-4,15-diol
319.40
-0.2
2
5
81.98
2
(1S,9S,14S,15S,16S)-4,5,14-trimethoxy-9-oxido-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol
333.40
0.1
1
5
70.98
3
(4aS,5S,6S,8R,8aS)-5,6,8-trihydroxy-3,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
280.32
0.1
3
5
86.99
0
(4aR,5R,8aR,9aS)-5,9a-dihydroxy-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f][1]benzofuran-2,8-dione
278.30
-0.2
2
5
83.83
0
(1R,3E,7Z,11S)-1,5,5-trimethyl-12-oxabicyclo[6.3.2]trideca-3,7-dien-11-ol
236.35
2.6
1
2
29.46
0
methyl (1R,4S,5S,7S,12S)-7-hydroxy-4,10-dimethyl-8-oxotricyclo[5.3.2.01,5]dodec-9-ene-12-carboxylate
278.34
2.3
1
4
63.6
2
(1R,13R,14S,21S)-14,21-dihydroxy-6,17-bis(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15(20),17-hexaene-4,19-dione
548.60
4
2
7
110.11
6
1-[(5aR,8R,9aR)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzofuran-4-yl]-3-methylbutan-1-one
358.50
5.2
1
4
55.76
5
(2S)-1-[(1R,9S,10R,12R,13R)-5-hydroxy-3-methoxy-9-methyl-13-propan-2-yl-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradeca-2,4,6-trien-6-yl]-2-methylbutan-1-one
374.50
4.7
1
5
68.29
5
1-[(5aS,8R,9aS)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzofuran-4-yl]-3-methylbutan-1-one
358.50
5.2
1
4
55.76
5
(2R,3R,3aS,8bR)-6-hydroxy-8-methoxy-3a-methyl-5-[(2S)-2-methylbutanoyl]-2-propan-2-yl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3-carbaldehyde
374.50
4.4
1
5
72.83
6
1-[(5aR,9R,9aS)-3-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-5a,8,9,9a-tetrahydrodibenzofuran-4-yl]-2-methylpropan-1-one
344.40
4.8
1
4
55.76
4
[(3aR,4R,6E,8R,9R,10Z,11aR)-9-acetyloxy-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
420.50
0.7
2
8
119.36
6
(6R,7R,9R,11S)-16,17-Didehydro-9-de-2-piperidinylormosanine
232.36
1.6
1
2
15.27
0
Rotundifoline
400.50
2
2
6
88.1
5
Hydron;octadecanoate
284.50
1
2
40.13
15
[(5S,6S,7R,8S,9S,10S,13R,17S)-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
452.60
4.7
1
5
76.74
3
Haperforin D
518.60
1.5
1
10
134.03
4
d,l-Aspartic acid
133.10
-3.2
2
4
105.07
2
Teuscordin
358.40
2
1
6
85.97
1
Talatisidine
407.50
0.4
3
6
82.39
4
5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one
246.30
2.5
0
3
42.74
0
(1R,5R,7R,8S)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3-methyl-2-butenyl)-8-(4-methyl-3-pentenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
602.80
10.4
3
6
111.9
10
(4R)-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione
242.27
2.3
0
3
43.37
0
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