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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
(7S,9S,10aR)-1,3,7-trihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-8a,9-dihydro-8H-xanthene-2,4-dicarbaldehyde
402.50
4.5
3
6
104.06
5
5-[(1S)-1-[(4R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
472.60
6.2
4
6
115.06
7
(1S,4S,6S,9R,10S,12S,13R)-6,13-dihydroxy-5,5,9-trimethyl-16-methylene-tetracyclo[10.2.2.01,10.04,9]hexadecan-14-one
318.40
2.8
2
3
57.53
0
[(1R,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
476.60
4.6
1
7
91.29
9
(1S,9S,10S,11R)-7-benzoyl-11-(3-hydroxy-3-methylbutyl)-10-(4-hydroxy-4-methylpentyl)-4,4,10-trimethyl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
538.70
5.3
2
6
100.9
9
(7aS)-7a-hydroxy-2-(2-phenylethyl)-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
276.36
1.6
1
3
75.87
3
(1S,13S,16S,18S)-12-[2-(1H-indol-3-yl)ethyl]-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
471.50
3.5
1
5
67.03
4
[(1R,3E,5R,7S,10E,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (E)-3-phenylprop-2-enoate
506.60
5.1
1
6
89.9
7
(1S,2S,4S,9R,12R)-12-hydroxy-4-methoxy-8,14-dioxa-7-azatetracyclo[7.4.3.01,9.02,7]hexadec-10-en-15-one
281.30
-0.2
1
6
68.23
1
(3R,6aR,12aS,12bS)-3-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
405.50
4.5
1
5
66.84
3
[(1S,2S,3R,4R,7S,8R,10S,12R,14S,15S,17R,19S,20R)-4-acetyloxy-15-(furan-3-yl)-3,20-dihydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-8-yl] acetate
560.60
0.9
2
11
154.26
5
(1R,2R,3S,11R,12R,14R,15R,18S)-2,7,9-trihydroxy-3,15-dimethyl-11-phenyl-18-propan-2-yl-4,19-dioxapentacyclo[12.4.1.01,14.03,12.05,10]nonadeca-5,7,9-triene-6,8-dicarbaldehyde
506.60
5
3
7
116.59
4
(1S,4R,6R,7S,8S,11S,12S,13S)-6,8,17-trihydroxy-8,16-dimethyl-14,19-dioxahexacyclo[11.2.2.14,7.19,12.01,11.04,10]nonadec-9-en-15-one
348.40
-1.3
3
6
96.22
0
3-[[(1aR,3aR,4R,7R,7bR)-7-hydroxy-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-4-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
472.60
6.2
4
6
115.06
6
(1S,2S,3R,4R,7S,8S,10S,12S,13R,14R,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,8,13,20-pentahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one
492.50
-1.2
5
10
162.35
1
(E)-1-[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
458.60
8.2
2
4
66.76
8
[(1S,3S,5S,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] acetate
448.50
3.6
1
7
91.29
8
[(1S,4S,5R,9S,10S,12R)-5,9-dimethyl-13-methylidene-6,15-dioxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl acetate
358.50
2.6
0
4
60.44
3
(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1,2,6-triol
306.40
2.3
3
3
60.69
1
(3S,4S,4aS)-3-methyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-4-carboxylic acid
212.20
0.3
1
5
72.83
1
[(1R,2S,4S,8S,10R,12S,13S,16S)-16-acetyloxy-13-ethenyl-8,12-dihydroxy-5,5,13-trimethyl-3-oxo-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-2-yl] acetate
450.50
2
2
8
119.36
5
[(2S,3R,4R,5R,6S)-5-[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-[[(1R,3S,5S,6S,7R,8R,20R,22R,24R,25S,29S)-7-[[(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-7-[(2S)-2-methylbutanoyl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5,24,27,27-tetramethyl-10-oxo-20-pentyl-2,4,9,21,23,26,28-heptaoxatetracyclo[20.7.0.03,8.025,29]nonacosan-6-yl]oxy]-4-hydroxy-6-methyloxan-3-yl] dodecanoate
1371.70
12.9
2
24
267.04
26
(2R)-2-[(2R)-2-[(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]propyl]-4-methyl-2H-furan-5-one
454.70
8
1
3
46.53
3
3-[[(1R,4S,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
472.60
6
4
6
115.06
7
(1S,2S,4S,9R)-4-hydroxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one
249.26
0.2
1
5
59
0
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