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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
7-Xylosyl-10-deacetyltaxol B
922.00
-0.1
7
17
274.14
14
7-Xylosyl-10-deacetyltaxol C
938.00
0.6
7
17
274.14
17
Stilbostemin D
258.31
4.3
2
3
49.69
4
3-Hydroxy-2',5-dimethoxy-2-methylbibenzyl
272.34
4.1
1
3
38.69
5
5,4'-Dihydroxy-7,3',5'-trimethoxyflavone
344.30
2
2
7
98.36
4
3-Methoxyamphetamine
165.23
2
1
2
35.25
3
7-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-5-methoxychromen-4-one
314.29
2.4
2
6
89.13
3
8,9-dihydroxy-4-methoxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-one
342.30
3.5
2
6
89.13
1
Baicalin methyl ester
460.40
1.4
5
11
176.12
5
5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin
404.50
5.3
1
5
76.74
4
5-Hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-propylpyrano[2,3-h]chromen-2-one
370.40
5
1
5
76.74
5
Inophyllolide chromanol
404.50
4.1
1
5
68.9
1
15-Hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one
350.40
2.8
1
5
68.9
1
Pseudosemiglabrinol
350.40
2.8
1
5
68.9
1
2-Hydroxy-6-pentadeca-8,11,14-trienylbenzoic acid
342.50
7.6
2
3
57.53
13
Erythrisenegalone
406.50
5.6
2
5
75.99
3
Cycloartocarpesin
352.30
3.6
3
6
100.13
1
3-(3-Hydroxypropyl)phthalide
192.21
1
1
3
46.53
3
Leucanthogenin
346.30
2.3
4
8
129.59
3
8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone
418.40
2.7
1
9
105.82
7
8-Hydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid
206.15
1.3
2
5
87.74
1
2-[(1S,2R,3S,4R,7S,9S,11S,12S,14S,17R,18R,19R,21R,22S)-2,11-dihydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate
678.80
3.1
5
11
164.37
5
7beta-Hydroxyrutaecarpine
303.30
2.5
2
3
70.91
0
(1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-2'-one
350.40
1.4
3
5
90.29
0
bis[(4S,4aR,6S,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (2E,6E)-2,6-dimethylocta-2,6-dienedioate
528.80
6.7
0
6
59.08
9
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