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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
Isopicropodophyllone
412.40
2.5
0
8
89.52
4
CID 11190157
450.40
0.9
6
10
166.14
8
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-acetyloxy-3-ethenyl-5,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate
452.50
1.6
2
8
119.36
5
(8R)-1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one
452.80
6.4
1
4
38.82
10
(1S,2R,4S,5R,10S,12R,13R,14R,17R)-12-chloro-13-hydroxy-5-[(2R)-2-hydroxy-1-[(S)-methylsulfinyl]propan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
460.90
-1.1
2
9
141.87
3
Lanosteryl acetate
468.80
9.5
0
2
26.3
6
Belalloside A
478.40
0.7
4
11
161.21
9
(6aS)-1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
370.50
3.4
0
4
36.92
4
cis-3',4'-Disenecioylkhellactone
426.50
4.8
0
7
92.04
6
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
504.40
-2.4
9
14
236.06
8
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate
552.50
-0.9
7
13
204.83
11
[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
602.90
11.6
1
4
55.76
5
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
610.60
-0.9
9
15
245.29
11
Deacetylhectochlorin
623.60
4.5
2
12
201.62
5
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
696.70
-1.1
9
16
246.68
10
NCGC00385663-01_C33H40O18_6-O-beta-D-Glucopyranosyl-1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranose
724.70
-0.2
8
18
269.82
15
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-triacetyloxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
773.00
7
1
12
160.96
12
N-gamma-Glutamyl-S-allylcysteine
290.34
-2.8
4
7
155.02
10
Cyclopentanone, 2-(acetyloxy)-
142.15
0.4
0
3
43.37
2
2-Amino-2,3,5-trideoxy-3-methyl-D-xylonic Acid
147.17
-2.8
3
4
83.55
3
(2S,4S)-4,5-dihydroxynorvaline
149.15
-4.3
4
5
103.78
4
(2S,4S,5S)-4,5-dihydroxypiperidine-2-carboxylic acid
161.16
-4
4
5
89.79
1
Isomenthol acetate
198.30
3.6
0
2
26.3
3
Anhydro-beta-rotunol
216.32
3.7
0
1
17.07
1
(1R,3aR,4S,7S,8aR)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
222.37
4.3
1
1
20.23
1
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