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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
Drimiopsin C
288.25
2.8
3
6
100.13
1
(3S,4aS,6aS,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,10b-hexahydrobenzo[f]chromen-8-one
302.50
4.3
0
2
26.3
1
methyl (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
306.40
3.7
0
3
43.37
5
3,3',5-Trihydroxy-4',7-dimethoxyflavanone
332.30
2.1
3
7
105.45
3
(3S)-3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
334.30
3.4
2
5
75.99
0
4-[(2R,3R,4R,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
342.40
3.9
1
5
57.15
3
tagitinin C
348.40
2.1
1
6
89.9
3
Lupulone B
398.50
5.9
1
4
63.6
6
(6As)-1,2,10,11,12-pentamethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline
399.50
3.7
0
6
49.39
5
Vibsanin R
400.50
5.3
1
4
59.06
7
Oxygenated xanthohumol
402.40
3.3
4
7
116.45
8
5alpha,6alpha-Epoxystigmastan-3beta-ol
430.70
8.8
1
2
32.76
6
5beta,6beta-Epoxystigmastan-3beta-ol
430.70
8.8
1
2
32.76
6
(8R,8'R,9'S)-5-methoxyclusin
432.50
3.5
1
8
84.84
8
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
440.70
9.2
0
2
26.3
7
7-Hydroxy-4-(7-hydroxy-6,8-dimethoxy-2-oxochromen-4-yl)-6,8-dimethoxychromen-2-one
442.40
1.8
2
10
137.8
5
(1S,4R,5R,6S)-N-(2-methylpropyl)-5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
446.70
8.3
2
2
58.2
15
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
462.40
-2.6
8
13
215.83
7
(1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylic acid
464.50
1.7
3
9
143.5
5
2-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
506.50
1.1
5
12
177.51
7
3-Methyl-2-pentanol
102.17
1.7
1
1
20.23
2
(E)-5-[7-[6-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one
570.70
5.9
0
6
77.54
8
Uscharin
587.70
1.4
2
10
149.18
2
3-Methyl-2-pentanone
100.16
1.3
0
1
17.07
2
Methylhydroxycarbene
44.05
-0.1
1
1
20.23
0
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