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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
Cembra-2,7,11-triene-4,6-diol
306.50
4
2
2
40.46
1
Brucina
394.50
1
0
5
51.24
2
5,6-dimethoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one
311.30
3.1
1
5
60.55
4
(1S,2R,6R,9R,10S,11R,12R,15R)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.02,10.05,9]pentadec-4-ene-3,8,14-trione
318.40
0.5
1
5
80.67
0
6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolinium
206.26
1.2
0
2
21.47
2
10-acetoxy-8-hydroxy-9-O-angeloylthmol
322.40
2.4
2
6
93.06
8
Flemichapparin A
322.40
4.5
2
4
66.76
3
(2R,4aS,5R,5'S,6S,8aS)-5'-(2-hydroxyethyl)-1,1,4a,5',6-pentamethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
324.50
3.8
2
3
49.69
2
Pipertipine
329.40
4.4
0
3
38.77
7
Cannabichromevarinic acid
330.40
5.9
2
4
66.76
6
(1R,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
339.30
2.3
1
6
60.39
0
Denudadione C
340.40
3.5
0
5
61.83
4
(1S,5R,9R,10S,11R,13S,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
343.50
2.4
2
3
43.7
1
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
346.33
-3
6
9
149.07
4
Eupaglehnin C
346.40
2.4
1
5
72.83
4
[(1S,2S,3R,6R)-3-benzoyloxy-2-hydroxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
366.40
2.5
1
6
85.36
7
Licoleafol
372.40
2.7
5
7
127.45
4
10-butanoyl-5-hydroxy-6-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[3,2-g]chromen-8-one
372.40
2.6
2
6
96.97
5
Ovaliflavanone A
376.50
6.4
1
3
46.53
5
Cedronolactone E
380.40
-0.8
3
8
122.52
1
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone
393.20
4.5
1
5
64.99
6
(8S)-5-hydroxy-6-(3-methylbutanoyl)-4-phenyl-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
404.50
5.5
1
5
76.74
5
(E)-N-[2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]ethyl]-3-methylsulfonylprop-2-enamide
405.60
4.3
1
4
80.85
11
Sophoraflavanone C
424.50
5.8
4
6
107.22
6
5,8-Epidioxyergosta-6,9(11),22-trien-3-ol
426.60
6.1
1
3
38.69
4
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