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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
2-(3,7-Dimethylocta-2,6-dien-1-yl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
320.40
5.3
2
4
58.92
7
Buxamine F
384.60
5.4
1
2
29.26
2
Hesperidin
610.60
-1.1
8
15
234.29
7
Pumilaside B
400.50
1.1
5
7
119.61
3
mulberrofuran Y
408.50
6.7
3
5
83.06
7
2-Isopropyl-3-methylthiopyrazine
168.26
2.6
0
3
51.08
2
Pterodontoside A
412.50
1
5
8
136.68
5
Sinensol D
414.50
5.9
2
4
58.92
3
[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
426.50
3.8
2
6
100.9
10
(6R)-6-[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
428.70
7.9
1
2
37.3
5
Fenfangjine G
433.50
-0.1
3
9
123.55
6
methyl (4aR,5S,6R,6aR,7S,11aS,11bR)-5-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate
434.50
1.1
2
8
123.27
4
(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
442.70
8.1
2
2
40.46
4
Schleicheol 1
444.70
8.8
1
2
29.46
7
8bH-Cyclopenta[b]benzofuran-1,8b-diol, 3a-(1,3-benzodioxol-5-yl)-1,2,3,3a-tetrahydro-6,8-dimethoxy-3-phenyl-, (1R,3S,3aR,8bS)-
448.50
3
2
7
86.61
4
[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate
448.50
1.6
2
7
110.13
5
malyngamide M
450.10
7
1
3
49.77
15
(1S,2S,6S,7R,8R,10S,13S)-8-benzoyloxy-6-(hydroxymethyl)-2,13-dimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylic acid
454.60
4
2
6
100.9
5
Psilocybine
284.25
-1.6
3
5
95.6
5
(1R,3aS,5aR,5bR,7R,7aR,9S,11aR,11bR,13aR,13bR)-7,9-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
472.70
6.9
3
4
77.76
2
kaempferol-3-O-(4-O-acetyl-alpha-L-rhamnopyranoside)
474.40
1.8
5
11
176.12
5
methyl 3-[(1R,1'S,3aR,4S,5S)-1',4-dimethyl-3'-methylidene-1'-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,2'-cyclopentane]-4-yl]propanoate
478.70
7.1
0
4
52.6
7
(5R,5aR,6aS,6bR,10aR,11R,12aS,12bS,12cS)-5a,10a,11-trihydroxy-3,3',4',6b,12c-pentamethylspiro[2,6,6a,10,11,12,12a,12b-octahydro-1H-benzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
482.60
1.3
3
7
121.13
0
(+)-Tephrorin B
484.50
4.9
1
6
82.06
6
[(3S,5R,9R,10R,13S,14S,17S)-17-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
484.80
8
1
3
46.53
6
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