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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
[(E)-2-[(3S,4R,5S,7S)-7-methoxy-5-methyl-5-(4-methylpent-3-enyl)-3-(2-oxopropyl)-3,4,6,7-tetrahydro-1H-2-benzofuran-4-yl]ethenyl] 3-methylbut-2-enoate
430.60
3.8
0
5
61.83
10
[(4aR,5R,6R,6aS,7R,11aS,11bR)-4a,5-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-6-yl] benzoate
438.60
5
2
5
79.9
3
[(2S,3S)-3-(hydroxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butyl] acetate
460.50
3.4
1
9
101.91
11
(23E)-23-Dehydro-25-hydroxysunpollenol
460.70
6.8
2
3
49.69
5
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside
464.40
0.4
8
12
210.51
4
2,4-Dimethyl-3-pentanol
116.20
2.3
1
1
20.23
2
Hederagenin methyl ester
486.70
7.1
2
4
66.76
3
(E)-3-[(1S,2R,5S,6S)-2-(1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
506.70
6.1
0
4
59.08
8
[(1R,4S,5R,6R)-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-pentyl-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
520.70
6.4
0
4
59.08
8
[(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] propanoate
526.70
4.7
1
7
95.2
6
[(2R,3R)-2,6-dihydroxy-6-methyl-2-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl] benzoate
584.70
2.7
5
8
144.52
8
(2R,3R,4S,5R,6R)-2-[[(3S,5S,10S,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
590.80
5.6
5
7
119.61
9
delta(sup5)-Cholestenone
384.60
8.2
0
1
17.07
5
Verbasoside
462.40
-1.9
8
12
198.76
7
4-Hydroxy-19-methoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),18,24,27-undecaene-17,20-dione
468.50
5.6
1
6
82.06
1
dimethyl (1S,2R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxylate
474.50
2.8
2
10
129.98
9
[(1R,3E,5R,7S,10Z,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate
474.60
4.9
1
6
89.9
9
cedronolactone A
478.50
0.5
3
9
139.59
4
Cowanin
478.60
8.1
3
6
100.13
8
6-Oxopristimerol
480.60
6.9
2
5
83.83
2
(10R,11R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione
482.30
-0.6
9
14
243.9
1
methyl (3R)-3-(3,4-dihydroxyphenyl)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]propanoate
484.50
2.2
7
10
177.14
6
1-hydroxy-13-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-4-one
507.60
-0.2
8
11
189.17
17
Ethylmalonic acid
132.11
0.4
2
4
74.6
3
CID 11756285
516.60
3.6
0
9
114.43
10
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