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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
(1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
204.35
4.9
0
0
0
1
(1R,2R,5S,7R)-2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
204.35
4.9
0
0
0
0
Oxalic acid-13C2 dihydrate
128.05
4
6
137.6
1
Patrinoside
462.50
-1.1
6
11
175.37
9
(113C)Tetracosanoic acid
369.60
10.7
1
2
37.3
22
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6Ar,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
822.90
3.7
8
16
267.04
7
3-Dihydrocadambine
546.60
-0.4
6
11
174.17
5
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
340.33
-5.2
8
11
201.11
4
3-[(3S,3aR,5aR,6R,7S,9aR,9bR)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
474.70
7.3
2
4
66.76
6
Verruculotoxin
244.33
2.3
1
2
32.34
2
Aloperine
232.36
1.6
1
2
15.27
0
5-Hydroxy-7,8,2',5'-tetramethoxy-flavone-5-o-beta-D-glucopyranoside
520.50
0.9
4
12
166.51
8
Andrographic acid
364.40
2.6
4
6
115.06
5
5-Hydroxy-7,8-dimethoxy (2R)-flavanone-5-o-beta-D-glucopyranoside
462.40
0.7
4
10
144.14
6
Limbatenolide D
326.40
3.6
0
4
56.51
0
Limbatenolide E
326.40
2.7
0
4
52.6
0
(2S)-5,7,3',5'-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside
450.40
0.2
7
11
186.37
4
6-[(3R,3aS,6R,6aS)-6-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
414.40
2.6
0
8
73.84
4
5-[(3R,3aS,6R,6aS)-6-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-3-methoxybenzene-1,2-diol
402.40
2.1
2
8
95.84
4
[(2S,3R,4R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-3-yl]methanol
416.40
2.7
1
8
84.84
6
[(5R,6R,7S)-6-(acetyloxymethyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxy-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-7-yl]methyl acetate
502.50
3.3
1
10
118.98
10
4-[(3R,3aS,6R,6aS)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
416.40
2.4
1
8
84.84
5
4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
386.40
2.5
1
7
75.61
4
Azuleno[4,5-b]furan-2,9-dione, decahydro-6a-hydroxy-9a-methyl-3-methylene-6-[(1-oxopropoxy)methyl]-, (3aS,6R,6aR,9aS,9bR)-
336.40
1.1
1
6
89.9
4
Hispitolide B
350.40
1.5
1
6
89.9
5
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