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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
(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene
308.05
5.8
0
0
0
4
Eicosadienic acid
308.50
8.7
1
2
37.3
16
1,3,6-Trihydroxy-4,5-dimethoxy-8-methylxanthen-9-one
318.28
2.8
3
7
109.36
2
Higenamine
271.31
2.2
4
4
72.72
2
Nonatriacontane
549.10
20.7
0
0
0
36
Intermedine, (+)-
299.36
-0.4
3
6
90.23
6
[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl]methanesulfonic acid
330.40
0.5
2
6
109.28
2
(3I(2),5I+/-)-3-Hydroxypregnane-2,16-dione
332.50
3.9
1
3
54.37
1
Oxymatrine
264.36
1
0
2
43.37
0
(1S,2S,5S,9R,13S,14S,19R)-1,14,17,17-tetramethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.02,10.05,9.014,19]henicos-10-ene
358.50
3.5
0
3
27.69
0
Hyptolide
368.40
1.6
0
8
105.2
11
1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside
372.40
0.3
6
9
156.91
6
methyl (8R)-8-ethyl-15-methoxy-6-oxo-7-oxa-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4,14(19),15,17-hexaene-5-carboxylate
394.40
2.8
1
6
80.86
4
5-Deoxypulchelloside I
406.40
-2.4
6
11
175.37
5
(3S,4S)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
414.40
3.6
0
8
81.68
5
24-Methylenecholest-4-ene-3beta,6beta-diol
414.70
7.4
2
2
40.46
5
Diphenylamine
169.22
3.5
1
1
12.03
2
[(4aR,5S,6R,6aS,11aS,11bR)-5-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1,7-dioxo-3,5,6,6a,11,11a-hexahydro-2H-naphtho[2,1-f][1]benzofuran-6-yl] acetate
432.50
1.3
1
8
120.11
4
(4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
456.70
7.7
2
3
57.53
1
Complanadine B
496.70
4.3
2
5
66.91
1
(2R)-2-[(3R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
528.80
7.2
2
5
83.83
8
[(1R,4S,5R,6R)-4,6-bis(1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
544.60
4.5
0
6
77.54
4
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-4,7-bis(3-methylbut-2-enyl)xanthen-9-one
546.70
10.1
3
6
100.13
10
Amrubicin hydrochloride
519.90
6
10
176.61
3
annumuricatin C
558.60
0.4
6
7
186.04
4
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