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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
[(3S,3aR,4S,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate
522.60
1.5
2
10
145.66
9
rel-(6R,8S)-6,8-Pentatriacontanediol
524.90
15.9
2
2
40.46
32
Betulinic acid sulfate
536.80
7.8
2
6
109.28
4
(5Z)-Lycopene
536.90
15.6
0
0
0
16
[(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-diacetyloxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate
546.60
3.4
0
9
117.73
8
6-[5-(5,7-Dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
552.50
5.4
5
10
170.8
4
Cylindrocyclophane F
552.80
12.8
4
4
80.92
6
(2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
554.50
-1
8
13
207.99
9
(2R)-4-[(13R)-13-hydroxy-13-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
564.90
11.8
2
5
75.99
26
Floribundone 1
566.50
5.8
4
10
167.66
3
Zincophorin
568.80
6.7
5
7
127.45
17
(E)-3-[(1S,2R,3S,4R)-2-(1,3-benzodioxol-5-yl)-4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
570.70
4.9
0
6
77.54
6
(1S,6S,7S,14S,15R,16S)-14,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
572.60
-0.4
6
12
184.6
5
(2S)-4-[(11S)-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
578.90
10.1
2
6
85.22
23
[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(Furan-3-yl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylpropanoate
588.60
2.3
2
11
162.1
7
Heraclenol 3'-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]
598.50
-1.8
7
15
231.11
10
Emestrin
598.60
-0.1
3
12
205.9
1
Goniothalamicin formal
608.90
9.7
2
7
94.45
23
Annomuricin C
612.90
7.4
5
8
136.68
26
(2R,3R,5R)-5-[(E,1R)-1-bromohex-3-enyl]-2-[(E)-pent-2-en-4-ynyl]oxolan-3-ol
313.23
3.5
1
2
29.46
6
(R)-3-(Hexadecyloxy)propane-1,2-diol
316.50
6.5
2
3
49.69
18
(13R,15S,16S,18R)-15-ethyl-11-methyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-ol
326.40
2.2
1
3
40.93
1
Sinomendine
337.40
2.8
1
5
60.81
3
(8S,9S,10R,13S,14S,17E)-17-(1-methoxyethylidene)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,16-dione
340.50
3.9
0
3
43.37
1
4-[(1R,2S)-1-ethoxy-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
348.40
2.3
3
6
88.38
8
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