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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
1-Methyl-2-methylenecyclohexane
110.20
2.9
0
0
0
0
2-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
343.40
3.2
0
5
40.16
6
Arctinal
232.30
3.6
0
3
73.55
3
[2-[[(4aR)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
586.50
2.4
6
13
201.67
8
(1'R,2'S,3S,5'R,6'S,8'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
322.40
1.8
1
3
41.57
1
[(3R,7S,10R,11S,16R)-6-acetyl-8-acetyloxy-14-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] benzoate
815.00
3.5
2
14
178.04
12
methyl (1R,9S,11S,15R,17R,19R)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
410.50
1.8
1
7
77.1
5
(1R,12S)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
310.40
1.7
3
3
59.49
1
Macrocarpal AM 1
486.60
4.8
3
7
128.97
10
(1R,3R,6S,7R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
482.40
0.8
5
10
162.98
3
3-[[(2S,3aS,7aR)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
301.34
0.4
2
5
76.38
2
(1R,2R,7S,10R,13R,14R,20S)-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
502.50
0
1
10
137.96
1
[(1S,8S)-2,7,13-triacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] 3-phenylprop-2-enoate
622.70
3.3
1
10
142.5
10
(3aS,6aS)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
386.40
2.9
0
6
55.38
6
[(4aR,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
424.50
2.3
0
8
100.66
11
[9,16,21,22-Tetrahydroxy-5-(hydroxymethyl)-13,20,25-trimethyl-4,24-dioxo-3,23-dioxanonacyclo[14.10.1.02,6.02,14.08,13.010,12.017,19.020,27.022,26]heptacosa-1(27),5,25-trien-9-yl]methyl 2-methylbut-2-enoate
636.70
-0.5
5
11
180.05
5
7-Methoxy-8-[(1Z)-3-methylbuta-1,3-dien-1-YL]chromen-2-one
242.27
3.9
0
3
39.44
3
Methyl 2-[3-(3,7-dimethylocta-2,6-dienyl)-2,5-dihydroxyphenyl]acetate
318.40
4.8
2
4
66.76
8
10-Hydroxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
566.50
-0.6
8
14
228.97
6
5-Hydroxy-3-(4-hydroxyphenyl)-6,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
610.50
-1.3
10
16
269.43
7
6-[6-carboxy-4,5-dihydroxy-2-[[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
1001.10
0.7
12
22
366.42
11
Soyosaponin Ac
1421.50
-0.2
13
32
477.56
22
5-(3,4-Dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
400.50
3.6
0
6
55.38
7
Hyperectine
447.40
1.6
2
8
112.35
1
11-Hydroxy-10-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
648.90
8.8
3
7
113.29
6
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