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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
(5,7-Dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
380.40
5.6
3
5
86.99
4
1-[(6S,8R,11R,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3,14-trienyl]ethanone
381.60
5.1
0
2
20.31
2
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
412.60
8.3
4
4
80.92
14
Pumilaside A
418.50
0.4
6
8
139.84
4
Bonducellpin C
420.50
2.4
2
7
106.2
4
(1S,4S,5R,9S,10S,13R,14R)-14-acetyloxy-14-(acetyloxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
420.50
4.6
1
6
89.9
6
Sutherlandin trans-p-coumarate
421.40
-0.4
5
10
169.7
9
9-(1,3-benzodioxol-5-yl)-3,5,6,7-tetramethoxy-3H-benzo[f][2]benzofuran-1-one
424.40
3.9
0
8
81.68
5
(2S,3S)-3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one
431.40
2.7
3
9
119.61
4
Kaempferol 3-p-coumarate
432.40
4.4
4
8
137.43
5
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[2-(1-hydroxypropan-2-yl)-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one
442.50
4.6
5
7
127.45
7
3'-Methoxydaidzin
446.40
0.6
5
10
159.05
5
[2-[(1S,2R,4S,6S)-2,4-diacetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
448.50
3.7
0
8
108.5
11
(3S,4S,5S,10S,11R,13R,14R,17R)-3,11-dihydroxy-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-one
456.70
6.8
2
3
57.53
5
Jaborosalactone 1
464.50
2.3
1
6
93.2
0
(5R,5aR,6aS,6bR,12aS,12bS,12cS)-5a-hydroxy-3-(hydroxymethyl)-3',4',6b,12c-tetramethylspiro[1,2,6,6a,10,12,12a,12b-octahydrobenzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
464.50
2.3
2
6
100.9
1
Malyngamide N
466.10
5.7
0
4
59.14
15
(1S,2R,7R,9S,10S,11S,12S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,17-dione
468.60
3
1
6
93.2
2
Camaldulenic acid
470.70
6
3
4
77.76
1
(3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one
470.70
6.6
2
4
74.6
3
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
478.40
1.1
5
11
164.37
9
3beta-Acetoxyurs-12-en-11-one
482.70
8.5
0
3
43.37
2
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
484.80
8.5
1
3
46.53
6
10-O-Vanilloylaucubin
496.50
-1.2
6
12
184.6
8
[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
504.50
1.4
4
11
161.21
8
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