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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
[(1S,3S,5S,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
600.60
0.3
5
13
190.67
10
[(2R,3S,5R,6S)-6-[[(1S,3S,5S,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
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
1037.20
3.7
8
20
303.96
15
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
1039.20
3.9
8
20
303.96
16
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-8-acetyloxy-7-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
1081.20
3.9
7
21
310.03
18
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
294.25
-3
6
9
156.91
6
Cinobufagin-3-hemisuccinate
542.60
3.3
1
9
132.64
8
Marinobufagenin
400.50
2.5
2
5
83.2
1
Resibufagin
398.50
2.4
1
5
80.04
2
methyl (1S,9S,13E,15S)-13-ethylidene-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
369.50
1.7
2
4
58.56
3
Periformyline
366.40
1.9
1
4
79.47
2
Cinobufagin
442.50
3.3
1
6
89.27
3
Pericyclivine
322.40
2.4
1
3
45.33
2
[(1S,2R,4S,7R,9R,10S,11S,12S)-11-Acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
466.50
0.9
1
9
120.89
9
CID 11969566
602.60
0.5
4
12
186.12
8
3'-O-acetyl-4'-O-benzoylkhellactone
408.40
3.6
0
7
92.04
5
(5S)-5,9,9-trimethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
208.34
3.6
1
1
20.23
0
(3R,4S)-4-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
356.32
-1.2
4
9
134.91
4
(5S)-5-[(11S)-11-hydroxy-11-[(5R)-5-[(2R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
622.90
9.4
2
7
102.29
25
(10R,11S)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-trien-6-ol
314.50
6.1
1
2
29.46
0
(+)-(6R,11S,14S,26R)-26-Hydroxy-15-methylidenespiroirid-16-enal
470.70
5.5
3
4
77.76
10
Uyshrhkohclbce-phrmgerwsa-
486.70
5.1
3
5
86.99
10
Picrodendrin A
440.40
-1.3
3
10
144.28
4
Normavacurine
294.40
1.7
1
2
28.4
1
Miyabenol B
904.90
9.1
8
12
198.76
5
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