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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
[(9R,10R,11R)-11-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (2R)-2-methylbutanoate
502.60
5.3
1
8
92.68
9
9-(3-Methyl-2-oxobut-3-enoxy)-2,3-dihydrofuro[3,2-g]chromen-7-one
286.28
2.6
0
5
65.74
4
(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-7-methoxy-2,3-dihydrochromen-4-one
456.50
4.8
4
7
116.45
8
[3-Hydroxy-4-(3-methoxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate
510.50
6
2
10
137.82
10
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2,4-dihydroxybut-2-enoate
346.40
1.4
2
6
93.06
4
(1'R,2S,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
873.10
4
2
14
159.06
8
(6aS)-1,2,10-trimethoxy-6a-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
341.40
2.8
2
5
59.95
3
(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
467.60
-0.6
3
8
100.85
6
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
915.20
9.1
7
15
231.13
39
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate
915.20
9.1
7
15
231.13
39
[(3R,6S,7S,8S,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl] acetate
594.80
4.9
2
6
90.31
7
(1S,4S,7R,8R,11S,12R)-12-hydroxy-2,7,11-trimethyl-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-one
266.33
1.2
1
4
55.76
0
(1R,2S,3S,5R,9R,10R,11R,12S,13S,16S)-3,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-8,15-dione
350.40
0.4
3
6
104.06
0
(1S,4S,5S,6R,9R,10R,13R)-10-hydroxy-5,9,14-trimethyl-6-(2-methylpropanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
404.50
3.9
2
5
83.83
4
(E,3R,10S)-dodec-4-en-6,8-diyne-1,3,10-triol
208.25
0.6
3
3
60.69
5
(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,3R,4R)-3,4-dihydroxy-4-methylcyclohexyl]-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
366.40
-2.4
7
9
160.07
5
(1R,2R,3S,6R,9S,10S,11S,12R)-6,9-dihydroxy-2-octyltetracyclo[8.2.1.03,12.06,11]trideca-4,7-diene-7-carboxylic acid
360.50
4.9
3
4
77.76
8
(6R,8S,9S,10R,11R,13S,14S,16S)-6,11,16-trihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
320.40
0.9
3
4
77.76
0
(1S,2S,3R,5S,8S,9S,10R,11S,12S)-8,9,11,12-tetrahydroxy-3,10-dimethyl-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-7-one
396.40
-1.5
4
9
142.75
1
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
640.50
-1.3
10
17
278.66
7
(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
278.50
9.3
0
0
0
12
2,3,8,9,10,11-hexamethoxy-5H-isochromeno[4,3-b]chromen-7-one
430.40
2.8
0
9
94.82
6
[(10R,11S)-10-[(1R,8R,9R,13R,14R,15R,27R)-9-(3,4-dihydroxyphenyl)-5,8,20,21,22,25-hexahydroxy-17,26,28-trioxo-2,10,16,29-tetraoxaheptacyclo[12.12.3.01,13.03,12.06,11.018,23.024,27]nonacosa-3(12),4,6(11),18,20,22,24-heptaen-15-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
1178.90
2.2
17
30
510.94
5
[4-[5-methoxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-4-oxochromen-2-yl]phenyl]methyl (3S)-3-ethylheptanoate
598.70
8.1
0
8
101.27
16
8a-O-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 4-O-methyl (2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-4-(hydroxymethyl)-2-methoxy-6a,6b,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
1267.40
-2.9
15
29
448.35
17
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