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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
4-[5-(4-Hydroxy-3-methoxyphenyl)-4-(methoxymethyl)-3-methylfuran-2-yl]-2-methoxyphenol
370.40
3.6
2
6
81.29
6
(1R,2R,6R,7S,8S,10R,13R)-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
4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2,3,4-trimethoxyphenoxy]-6-(3,4-dimethoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinoline
710.80
6.8
0
12
108.43
12
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
439.50
-1.7
5
8
122.85
4
(1S,2R,3S,6E)-6-methyl-10-methylidene-3-propan-2-ylcyclodec-6-ene-1,2-diol
238.37
2.5
2
2
40.46
1
(1R,2E,6S,10S)-3-methyl-7-methylidene-10-propan-2-ylcyclodec-2-ene-1,6-diol
238.37
2.4
2
2
40.46
1
(1S,2S,3S,4S)-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohexane-1,2,3,4-tetrol
288.38
0.7
5
5
101.15
4
(2E,3S,4S,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decane-3,4-diol
248.27
0.8
2
4
58.92
1
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1R,2S,4S,5'R,6S,6'R,7S,8S,9S,12S,13R,16S)-8-hydroxy-6'-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
931.10
-0.4
10
19
285.37
9
(2S)-7-hydroxy-5-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
448.40
0.4
5
10
155.14
5
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
772.70
-2.7
11
20
313.44
10
7-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
710.60
-1.6
10
18
287.89
7
3-(beta-d-Glucopyranosyloxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-(2r,3s)-dihydrobenzofuran
522.50
0.5
6
11
167.53
10
[(1R,2S,3R,4S,8R,9R)-9-acetyloxy-3-formyl-3-methyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-11-en-12-yl]methyl acetate
348.40
1.1
0
6
78.9
6
methyl (1R,2S,3R,4S,8R,9R)-9-acetyloxy-12-(acetyloxymethyl)-3-methyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-11-ene-3-carboxylate
378.40
1.5
0
7
88.13
7
(1R,2R,7R,10R,11S,14R,15R,16R)-16-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-7,15-dihydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
470.60
2.2
2
6
93.06
1
(1R,4aS,9S,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1,9-diol
288.40
3.8
2
2
40.46
1
[(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,10,11,12,14,14b-decahydropicen-2-yl]methyl acetate
522.80
7.9
0
4
52.6
5
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3'-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
754.90
1
8
14
217.22
6
[(2S,3R,4S,5S,6R)-2-[[(1S,4aR,6S,7R,7aS)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
508.50
1.3
5
11
164.37
8
[(2S,3R,4S,5S,6R)-2-[[(1S,4aR,6S,7R,7aS)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
522.50
1.6
4
11
153.37
9
[(2S,3R,4S,5S,6R)-2-[[(1S,4aR,6S,7R,7aS)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
492.50
1.7
4
10
144.14
8
(2S,3S,4R)-2-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-ethenyl-4-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
538.50
0.2
7
13
212.67
11
[(1R,2R,4S,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate
598.70
3.8
1
9
113.66
7
(1S,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
302.50
6
1
2
37.3
5
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