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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
(11S)-4,5-dimethoxy-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene
328.50
6
0
2
18.46
3
(3S)-6-methoxy-2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
280.40
1.8
1
5
101.29
2
[(1R,3R,4S,4aS)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(2S)-6-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-2-yl]-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
576.60
3.6
1
10
134.14
7
4-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
316.40
4.3
1
3
46.53
2
7,4'-Di-O-methylvitexin 2''-O-rhamnoside
606.60
-0.2
7
14
217.97
7
[(10R,11R)-10-[(14R,15S,19S)-19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
1208.90
3.3
20
31
545.33
6
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1075.20
0.2
13
22
353.9
12
(1R,2S,4S,6R,7S,8R,9S,12S,13S,15S,16S,18R)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,16-triol
612.80
2.9
7
10
169.3
7
Nuciferine
295.40
3.4
0
3
21.7
2
[(2R,3S,4S,5R,6S)-6-[3-[(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-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
978.90
-1
13
25
393.34
16
[(2R,3S,4S,5R,6S)-6-[3-[(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-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
994.80
-1.3
14
26
413.57
16
Anti-inflammatory agent 44
964.80
-1.3
14
25
404.34
15
2,4,6-tri-O-galloyl-beta-d-glucose
636.50
0.4
11
18
310.66
10
8-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-8-oxooctanoic acid
332.40
1.7
4
4
102.42
10
Bufoserotonin C
325.40
1.5
3
3
87.12
5
cyclo[Ala-Val-Thr-Pro-Gly-Leu-Asp]
653.70
-0.5
8
10
252.44
6
urolithin M6
260.20
1.6
4
6
111.13
0
4-[(2R,5S)-5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dihydrofuran-2-yl]phenol
284.31
1.8
3
4
69.92
3
2-[[(4R,5S,7R,25S,26R)-29-(carboxymethyl)-13,14,15,18,19,31,35,36-octahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-20-yl]oxy]-3,4,5-trihydroxybenzoic acid
1122.80
0.7
16
32
534.08
8
4',6-Dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-carboxaldehyde
274.27
2.2
2
5
75.99
4
7-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
448.40
0.5
7
11
190.28
5
(6Z,8E,10Z,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
536.90
15.6
0
0
0
16
5-[(2R)-piperidin-2-yl]-2-pyridin-3-ylpyridine
239.32
1.6
1
3
37.81
2
Methyl 1-(aminoiminomethyl)-2-pyrrolidineacetate
185.22
-0.4
2
3
79.41
4
(1R,2S,4S,7E,8R,9S)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2',6-dione
384.40
1.3
1
5
77.1
2
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