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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
(8S)-3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
368.30
2.5
4
7
120.36
2
(2R)-2-[(2R)-2-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
358.30
2
1
7
95.2
3
(2S)-2-[(2S)-2-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
358.30
2
1
7
95.2
3
(3S)-5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
332.30
2.5
3
7
105.45
3
[(8S,9S,10S,11R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(Z)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] acetate
556.60
4.5
1
10
118.98
8
(5R,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
458.70
6.9
1
3
46.53
2
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
458.70
6.9
1
3
46.53
2
(6Z,9Z)-12-[(1S,2S)-2-pentylcyclopropyl]dodeca-6,9-dienoic acid
306.50
6.9
1
2
37.3
14
[(1S,2S,3aS,5S,9S,11S,13S,13aR)-1,3a,11,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2-(pyridine-3-carbonyloxy)-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
762.80
3.9
0
15
200.65
14
(2S,3R,4S,5S,6R)-2-[(E,2S)-6-hydroxy-6-methyl-2-[(2R,3R,5R,8R,9S,10R,12R,13R,14S,17S)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-4-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
787.00
0.9
10
14
239.22
9
(Z)-4-[(1R,2R,15S,16R,17R,19S)-5-[(2S)-2,3-dihydroxy-3-methylbutyl]-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
626.70
2.6
4
11
169.05
7
(Z)-4-[(1R,2R,15S,16R,17R,19S)-5-[(2R)-2,3-dihydroxy-3-methylbutyl]-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
626.70
2.6
4
11
169.05
7
(8S)-8-benzyl-5,8-dihydroxy-6-methyl-4-phenylfuro[2,3-h]chromene-2,9-dione
414.40
3.9
2
6
96.97
3
(6aS,6bR,10aR,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,6b,10a,11a-tetrahydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
356.40
2.4
2
5
68.15
3
(1S,4aS,5R,7aS)-7-(methylsulfanylcarbonyloxymethyl)-1,5-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
626.60
-3.9
9
18
296.89
11
3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
624.50
-0.5
8
16
247.43
9
[(6R,7E,13S)-13-hydroxypentadeca-7,14-dien-9,11-diyn-6-yl] acetate
274.35
3.7
1
3
46.53
9
2-[4-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(4,5,6-trihydroxy-3-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
738.70
-1.1
9
18
276.89
9
2-[(2S,5S)-5-[(1S)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate
469.60
3.7
2
6
94.09
11
(2R)-1-[3-acetyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxy-5-methylphenyl]-2-methylbutan-1-one
402.50
6.8
2
5
83.83
10
(1R,2R,4R,10S,11R,13S,14R,19R)-1,11-dihydroxy-9,9,14-trimethyl-18-methylidene-17-[(1R)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,19]icosa-5,16-dien-7-one
510.60
2.8
2
7
105.59
2
3-[2-[(1S,4aR,5S,8aS)-5-[[(2R,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
642.70
0
7
13
204.83
10
N-[(E,2S,3S,5S)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide
666.10
15.4
4
4
89.79
38
methyl 2-[(1S,2S,3R,5S,7R,8R,9R,10R,11R,12S,13S,14R,16R,17S)-1,9,10,17-tetraacetyloxy-8-[(S)-acetyloxy(furan-3-yl)methyl]-12-(acetyloxymethyl)-11,16-dihydroxy-5,8,14-trimethyl-4,18-dioxahexacyclo[12.2.1.12,5.03,7.03,11.012,16]octadecan-13-yl]acetate
834.80
-0.2
2
19
256.16
18
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(undecoxymethyl)oxane-3,4,5-triol
731.10
12.8
3
6
88.38
20
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