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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
1,7-Bis(4-hydroxyphenyl)heptan-3-one
298.40
3.9
2
3
57.53
8
(6,7,8,11,12,13,20,22-Octahydroxy-3,16-dioxo-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl) 3,4,5-trihydroxybenzoate
634.50
0.1
11
18
310.66
3
(3,6a,11',12',13',16',17',18',29',30',34',35'-dodecahydroxy-2',5,8',21',26',39'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,37'-3,7,22,25,36,40,42-heptaoxanonacyclo[33.2.2.14,24.15,23.131,34.01,33.09,14.015,20.027,32]dotetraconta-9,11,13,15,17,19,27,29,31-nonaene]-41'-yl) 3,4,5-trihydroxybenzoate
1110.80
-2.8
15
32
515.24
3
[3,6a,13',14',18',19'-hexahydroxy-2',5,10',23'-tetraoxo-7',25'-bis[(3,4,5-trihydroxybenzoyl)oxy]spiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,21'-3,6,9,20,24-pentaoxahexacyclo[17.2.2.14,8.115,18.01,17.011,16]pentacosa-11,13,15-triene]-5'-yl]methyl 3,4,5-trihydroxybenzoate
1112.80
-2.5
15
32
515.24
10
(8R,8'R)-Matairesinol 4,4'-di-O-|A-D-glucopyranoside
682.70
-0.3
8
16
243.52
12
(1R,2S,3S,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
159.18
-1.5
4
4
72.72
0
4-[2,13-dihydroxy-13-[3-hydroxy-5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
638.90
9.3
4
8
125.68
25
Annonin XIV
638.90
9.3
4
8
125.68
25
Leiocarpin
350.40
3.7
0
5
46.15
0
Gossypetin hexamethyl ether
402.40
3.2
0
8
85.59
7
2-[4-Hydroxy-6-(hydroxymethyl)-2-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
868.10
1.3
9
16
240.69
8
Tanshinone IIA anhydride
310.30
4.6
0
4
60.42
0
1-Methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde
290.30
2.8
0
4
64.35
1
8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
266.30
3.9
0
2
34.14
1
1,3-Dihydroxy-2-methoxyanthracene-9,10-dione
270.24
2.7
2
5
83.83
1
2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
236.35
3.5
1
2
37.3
2
(5R)-5-hydroxy-4,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-one
222.28
0.5
1
3
54.37
2
[(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2E,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate
1711.90
0.4
21
37
580.35
43
Capsianside F
1711.90
0.4
21
37
580.35
43
Capsianoside I
660.70
0.8
9
14
236.06
17
Capsianoside V
514.60
1.2
7
10
177.14
15
(2E,6E,10Z,14S)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid
514.60
1.2
7
10
177.14
15
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
1101.20
-2.8
16
26
415.98
25
11,15-Dihydroxy-16-kauren-19-oic acid
334.40
2.6
3
4
77.76
1
Paniculoside II
496.60
0.8
6
9
156.91
4
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