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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-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
812.70
-2.8
11
22
351.49
14
(1S,12S,13S,16R,18S)-5-methoxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde
352.40
1.9
0
5
69.67
2
(4aS)-4a-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
292.30
1.5
1
3
54.37
0
(4aS)-4a-hydroxy-7-methoxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
322.40
1.5
1
4
63.6
1
(1S,3S,3aS,7aS)-1-ethenyl-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methylidene-2,3,3a,7a-tetrahydro-1H-inden-4-one
310.40
3.8
1
3
46.53
4
(1R,3R,3aR,7aR)-1-ethenyl-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methylidene-2,3,3a,7a-tetrahydro-1H-inden-4-one
310.40
3.8
1
3
46.53
4
[(1S,4R,9R,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl 8-methoxy-6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylate
629.70
9.2
1
8
117.36
5
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
684.60
1.7
7
15
238.97
12
4-[4-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
342.34
-0.9
5
8
136.68
6
2-[(4R,5S,7R,8R,11S,12S,13S,21S)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
652.50
-1.7
9
19
313.57
6
(1'R,2R,4R,5'R)-6,6,6',6',8,8-hexamethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,2'-bicyclo[3.1.1]heptane]-5,7-dione
386.60
6
0
3
43.37
2
[(1S)-2-methyl-1-[(2S,4Z)-5-oxo-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
506.50
1.1
5
11
172.21
10
[(1R,5aS,9R,9aS,9bS)-1-hydroxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-9-yl] acetate
294.40
2.2
1
4
55.76
2
Grossamide
624.70
4.9
5
8
146.58
12
5-hydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxychromen-4-one
462.40
0.8
6
11
179.28
5
3-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
534.40
0.4
7
14
233.65
8
(1R,5R,7R,8S,10R,11R)-7,8-dihydroxy-15-(3-hydroxy-3-methylbutyl)-1,10,16-trimethyl-14-azapentacyclo[11.6.1.02,11.05,10.017,20]icosa-2,13(20),14,16-tetraen-4-one
439.60
2.6
3
5
90.65
3
(1S,3'R,5'R,12S,13R,16S,18R,20S,21R)-5'-(hydroxymethyl)-3,16,23-trimethylspiro[15,17-dioxa-3,23-diazahexacyclo[10.10.1.02,10.04,9.013,21.016,20]tricosa-2(10),4,6,8-tetraene-18,2'-oxolane]-3'-ol
454.60
1.6
2
6
76.32
1
(2E,4E)-5-[(1R,2S,3S,4R,4aS,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpenta-2,4-dienal
336.50
3.1
3
4
77.76
3
(2Z,4E)-5-[(1R,2S,3S,4R,4aS,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpenta-2,4-dienal
336.50
3.1
3
4
77.76
3
(3R)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
408.50
5.9
3
5
86.99
5
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-9-acetyloxy-3a-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
1015.10
1.2
11
21
338.35
14
(1R,3S,4R,4aS,5S,7R,8R,8aR)-8-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1,3,5-triol
366.40
0.8
4
6
106.59
3
[(1R,3S,4R,4aS,5S,7R,8R,8aR)-8-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3,5-dihydroxy-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] acetate
408.50
1.3
3
7
112.66
5
(1S,4R,8R,9R,10R,12R)-9-[(1S)-2-(furan-3-yl)-1-hydroxy-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
346.40
3.5
1
5
76.74
3
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