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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,12S,15R)-16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-ol
327.40
1.6
1
5
51.16
1
(1R,3aR,7R,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulen-1-ol
222.37
3.6
1
1
20.23
1
(4S,4aR,8aS)-4-[(Z)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
298.40
4.9
0
2
30.21
2
[(12S,13R,14S,19R,21S)-11-acetyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl] acetate
394.50
1.3
0
5
59.08
2
(1S,4'S,6S,10S,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
397.80
-0.4
1
7
85.3
3
(1S,2S,6S,9R,10R,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-4-one
264.32
1.5
1
4
59.06
0
(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
426.70
10.1
1
1
20.23
5
(4aS,5R,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
364.34
-3.3
7
10
169.3
3
6-O-beta-d-glucopyranuronosyl-d-galactose
356.28
-4.8
8
12
214.44
8
(2R,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-3-methylideneheptanoic acid
470.70
9.2
2
3
57.53
6
(2R,6R)-2-methyl-3-methylidene-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptanoic acid
468.70
8.9
1
3
54.37
6
(1R,2R,3R,6S,8S,9R)-1,9-dihydroxy-3,8-dimethyltricyclo[4.4.0.02,8]decan-5-one
210.27
0.3
2
3
57.53
0
Germinalinine
751.90
1.4
6
14
212.75
10
(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
442.70
7.6
2
2
40.46
1
9-(Beta-D-GLUCOPYRANOSYLOXY)-11-HYDROXY-2-METHOXY-12H-BENZO[A]XANTHEN-12-ONE
470.40
2.2
5
10
159.05
4
methyl (12R,13S,14Z)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
340.40
1.3
2
4
65.56
3
Cromadurine
309.36
0.2
1
6
76.07
0
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
666.80
0.9
6
12
184.6
6
(2S,12bS)-3-ethenyl-9-methoxy-2-[[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
496.60
4.9
3
4
65.31
5
(1S,4aS,5R,7R,7aS)-5,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
408.35
-4
8
12
206.6
5
(3R,4R,5R)-4-[(3S)-3-[(3S,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-6-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxobutyl]-3,5-dimethyloxolan-2-one
796.90
1.3
7
15
238.97
10
N-[(10S,12R,16S)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]formamide
385.40
1.3
1
6
83.09
5
methyl (1S,10S,15R,17S,18S)-17-ethyl-10-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate
354.40
2.4
1
5
62.13
3
methyl 2-[(1R,2S,5R,6R,13S,14R,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
512.60
2.8
0
8
109.11
6
1-[(3S)-7-hydroxy-3-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl]ethanone
242.27
3.5
1
3
46.53
1
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