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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
Bicyclo[2.2.2]oct-5-en-2-one
122.16
1.3
0
1
17.07
0
1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-
136.23
3.9
0
0
0
0
1-[3-Carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylic acid
336.30
-7.1
7
11
187.86
10
L-Phenylalanine, N-[N-(trifluoroacetyl)-L-alanyl]-, methyl ester
346.30
1.8
2
7
84.5
7
Procyanidin trimer T2
866.80
3.3
15
18
331.14
5
2,3-cis-Oligoproanthocyanidin
866.80
3.3
15
18
331.14
5
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
Arecatannin A1
866.80
3.3
15
18
331.14
5
Benzene, (1-methylene-2-propenyl)-
130.19
3.9
0
0
0
2
5-Undecyne
152.28
5
0
0
0
5
(22r)-22-Hydroxycholes-terol
402.70
7
2
2
40.46
5
2-Methylbenzyl radical
105.16
3.1
0
0
0
0
Hepta-4,6-diene
96.17
3.1
0
0
0
3
(2R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
370.40
2.7
4
7
120.36
2
1-Butylcyclopentene
124.22
3.4
0
0
0
3
2,6-Dimethylocta-2,6-diene
138.25
4.1
0
0
0
3
3-(Butan-2-ylidene)isobenzofuran-1(3H)-one
188.22
3.3
0
2
26.3
1
(4aR,5aR,8aS,13aS,15bR)-5a-hydroxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
350.40
1.8
1
4
53.01
0
Pleiomutinine
614.80
5.4
0
6
39.26
2
erythro-(7R,8S)-Dadahol B
668.70
6.1
4
11
161.21
17
[(3aS,4S,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
450.50
3.5
1
8
116.2
6
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(1S,3R,4S,5S,6R,8R,10S,22R,23R,24R,25S,27S,29R,30S,31S,32R,34R,37R,38S,39S,40R)-4,5,23,24,30,31,38,39-octahydroxy-6,25,32-trimethyl-20-oxo-10-propyl-2,7,9,21,26,28,33,35,41-nonaoxapentacyclo[35.3.1.03,8.022,27.029,34]hentetracontan-40-yl]oxy]oxan-3-yl] (E)-2-methylbut-2-enoate
1055.20
0.2
10
24
347.2
7
6-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol
392.50
6
2
4
58.92
3
(2R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
408.50
5.5
3
5
86.99
5
3-(2,4-Dihydroxyphenoxy)-8,8-dimethylpyrano[2,3-f]chromen-4-one
352.30
3.5
2
6
89.13
2
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