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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
3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2H-chromen-4-one
370.40
3.5
3
6
96.22
4
(1S,2S,8aS)-1-[[(1R,4aR,8aS)-8a-(7-hydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl]-1,5,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
600.70
5.3
2
8
131.11
5
(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
864.80
3.3
14
18
320.14
4
D-Gulonic acid
195.15
-2.7
5
7
141.28
4
1,4,5,8-Tetramethylnaphthalene
184.28
4.6
0
0
0
0
Testolactone
300.40
3
0
3
43.37
0
3,5,8a-Trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
234.33
3.6
0
2
26.3
0
Lythridine
453.50
3.2
2
7
88.46
2
Cyproheptadine Hydrochloride
323.90
1
1
3.24
0
[(4aS,7S,7aR)-4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
406.40
-2.7
6
11
175.37
5
[(4aR,6aS,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
468.80
9.7
0
2
26.3
2
[6-[[(1S,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
584.60
0.7
4
12
170.44
10
(1S,2S,4S,6R,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
413.60
5.4
2
3
41.49
0
[(1S,2S,3R,5S,6R,8S)-6-hydroxy-8-methyl-3-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
496.50
-1.4
6
12
184.6
7
(1R,3S,6S,7S,8R,9S,10R,11R,12R,13R,16R,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
440.40
-1.4
4
11
169.05
1
(1R,2R,7R,11R,12S,16S)-15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
494.70
5.2
4
6
107.22
6
(1R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
282.33
2.8
0
5
53.99
0
(6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
230.30
4
0
2
30.21
2
Norpterosin B glucoside
366.40
0.5
4
7
116.45
4
(1S,4aR,8aR)-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
304.50
4.5
1
2
37.3
5
2-methyl-6-[(1S,2S,4S,6R,8R,9S,12R,13R)-5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
722.90
2.5
6
12
176.76
4
(1S,2R,3S,4R,5R,6R,8R,9S,13S,16R,17R,18R)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
467.60
-0.6
3
8
100.85
6
[(3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexadecanoate
665.10
17.8
0
2
26.3
17
[(1S,4S,9S,10R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
392.50
1.5
3
6
104.06
2
(1S,3R,8R,11R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
438.70
10
0
1
17.07
5
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