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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
Cauloside C
767.00
3.1
8
13
215.83
7
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
767.00
3.1
8
13
215.83
7
(S)-autumnaline
373.40
3.3
2
6
71.39
6
Phytolaccoside F
957.10
0.7
10
19
301.05
11
Phytolaccagenic acid
516.70
5.5
3
6
104.06
4
10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
811.00
1.8
8
15
242.13
9
7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
376.36
-2
6
10
166.14
4
(1S,4R,12R)-1,3,3,12-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-5,8-dien-7-one
232.32
2.4
0
2
26.3
0
3,8-Dimethyl-4,6-decadiyne-3,8-diol
194.27
1.5
2
2
40.46
5
1-Phenyl-2-butanone
148.20
1.9
0
1
17.07
3
5,6-Dihydropyran-2,5-dione
112.08
-0.1
0
3
43.37
0
(3S,6S)-3-Methyl-6-(2-methylpropyl)piperazine-2,5-dione
184.24
0.8
2
2
58.2
2
HuzhangosideB
1337.50
-2.3
16
29
451.51
15
Presapogenin CP4
867.10
3.3
8
15
234.29
7
Pentacosane, 13-cyclohexyl-
434.80
16.2
0
0
0
23
Methanedithiol
80.18
0.9
2
2
77.6
0
3,7,11-Trimethyl-1-dodecanol
228.41
6.1
1
1
20.23
10
3-Dodecyne
166.30
5.5
0
0
0
6
Naphthalene, decahydro-2,3-dimethyl-
166.30
5.1
0
0
0
0
12a-Hydroxydolineone
352.30
2.3
1
7
87.36
0
(1R,13S)-1-hydroxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
352.30
2.3
1
7
87.36
0
[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate
678.80
2.9
5
11
164.37
5
3-Phenylpyridine
155.20
2.5
0
1
12.89
1
Sativanone
300.30
2.7
1
5
64.99
3
5-Deoxyleucopelargonidin
274.27
1
4
5
90.15
1
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