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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
Teucrenone
234.33
2.2
1
2
37.3
1
4-Hydroxy-9-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one
236.18
1.3
1
6
78.13
1
3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.5
7
12
199.51
5
(3S,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,8-diol
238.37
3.5
2
2
40.46
7
Marcanine A
239.23
1
1
3
67
0
Andrachcinidine
227.34
1.4
2
3
49.33
6
3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1S)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-6-yl]propyl octanoate
554.90
13.3
0
2
26.3
15
(2R,3S,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-3-[(2R,3R,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carbonyl]oxy-2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1373.70
4.1
13
23
378.81
15
(2R,3S,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-3-[(2R,3R,4S,4aS,6aS,6bR,8aR,11R,12R,12aS,14aR,14bR)-8a-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxycarbonyl-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carbonyl]oxy-2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1373.70
4.6
13
23
378.81
15
rel-(I+/-R,I(2)S,2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-I(2),7-dimethoxy-I+/-,3-dimethyl-5-benzofuranethanol
374.40
2.8
2
6
77.38
6
[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] acetate
288.29
2.5
0
5
65.74
2
Norbraylin
244.24
2.5
1
4
59.67
0
(3R)-4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
244.28
2.5
1
3
46.53
1
3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-2,5-dihydrofuran-2-one
576.90
13.9
2
4
66.76
30
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-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-carboxylate
538.50
-3.5
9
15
245.29
7
1,4-Cineole
154.25
2.5
0
1
9.23
1
Goniofupyrone
250.25
-0.1
2
5
75.99
1
2-Methoxycanthin-6-one
250.25
2.7
0
3
43.6
1
(2S,4R,9aS)-2-methyl-4-[[(2S)-piperidin-2-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
250.42
3.4
1
2
15.27
2
4-(hydroxymethyl)-1H-indeno[1,2-b]pyridine-2,5-dione
227.21
-0.3
2
3
70.16
1
[(1S,2S,3aR,5R,6Z,9S,10R,11R,12S,13Z)-3a,9,10,11,12-pentaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-2,3,5,9,10,11-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
698.80
4.5
0
13
174.87
13
[(1R,2Z,4S,5S,7S,8S,9R,10Z,13S,14S,15S)-7,8,14-triacetyloxy-13-hydroxy-1,5,9,12,12-pentamethyl-15-[(E)-2-methylbut-2-enoyl]oxy-16-oxatricyclo[11.2.1.03,7]hexadeca-2,10-dien-4-yl] benzoate
696.80
4.9
1
12
160.96
12
CID 101062384
336.50
2.6
2
4
58.92
1
9-[[(2S,4R)-4'-(2,3-dihydroxy-3-methylbutoxy)-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
590.60
4.2
2
11
143.1
7
9-[[(2S,4R)-4'-[(3,3-dimethyloxiran-2-yl)methoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
572.60
5.2
0
10
115.17
6
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