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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
Oleoyl neocryptotanshinone
578.80
11.1
1
5
80.67
19
(2S)-4-[(2S)-2-hydroxy-12-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one
578.90
9.8
2
6
85.22
23
(2S)-4-[(2S)-2-hydroxy-12-[(2R,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one
578.90
9.8
2
6
85.22
23
(-)-Mulberrofuran J
580.60
6
7
9
171.82
5
(+)-Lyoniresinol 9'-O-glucoside
582.60
0.4
7
13
196.99
10
Plicatic acid
422.40
0.9
7
10
177.14
5
(2S)-4-[[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one
592.80
7.9
2
7
102.29
23
Segetalin A
609.70
2
6
6
181.6
4
6'',7''-Dihydro-5',5'''-dicapsaicin
610.80
7.7
4
6
117.12
20
Xylomatenin
622.90
8.8
4
7
116.45
27
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
624.50
2.4
7
14
225.81
9
7-Ethyl-10-hydroxycamptothecin
392.40
1.4
2
6
101.65
2
Yadanzioside I
642.60
-2.4
6
16
245.04
7
Ergovaline
533.60
1.4
3
6
118.21
3
Procumbenoside A
644.60
0.1
5
15
201.29
8
Jacarelhyperol A
668.60
5.5
6
13
209.49
3
(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid
668.60
-0.2
7
16
256.04
7
(6aS)-8-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
668.80
6
2
10
102.32
9
(1S,8R,9S,12S,15R,16R)-8-hydroxy-1,12-dimethyl-6-propan-2-yl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
672.70
-3
8
16
255.27
7
4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin
672.70
5.7
8
7
179.93
12
4,4''-bis(N-feruloyl)serotonin
702.70
5.6
8
8
189.16
13
Rimonabant
463.80
6.5
1
3
50.16
4
kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside
740.70
-1.7
11
19
308.12
8
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,11,16-triacetyloxy-8-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-5-[(E)-3-phenylprop-2-enoyl]oxy-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
760.80
3.4
2
13
181.19
14
3-[(3R,10S,13R,14S,16R,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
780.90
1.5
6
14
203.06
7
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