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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
Goniobutenolide A
232.23
0.7
2
4
66.76
3
(1R,2R,4R,7R,10R)-2,7,11,11-tetramethyl-3,12-dioxatetracyclo[8.2.1.01,7.02,4]tridecane
236.35
2.5
0
2
21.76
0
Carissone
236.35
2.3
1
2
37.3
1
Corniculatolide A
298.30
3.6
1
4
55.76
0
Centrolobol
300.40
4.4
3
3
60.69
8
(2R,4aS,6S,8aS)-6-bromo-2-ethenyl-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydrochromene
301.26
4.4
0
1
9.23
1
3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-5-methoxy-
308.40
3.6
1
4
55.76
11
1-(2,4,6-Trihydroxyphenyl)dodecan-1-one
308.40
6.3
3
4
77.76
11
(1S,9S,10E,11S,12E,17R)-12-ethylidene-10-(hydroxymethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-17-ol
310.40
1.2
3
4
55.73
0
2,2',4'-Trihydroxy-6'-methoxy-3',5'-dimethylchalcone
314.30
3.9
3
5
86.99
4
(3S,4aS,6aS,10S,10aR,10bS)-3-ethenyl-10-hydroxy-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3.1
1
3
46.53
1
Vitedoin B
322.40
4.1
0
4
52.6
2
(1S,5'R,8S,9R,10R)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
328.40
2.3
0
5
65.74
1
Isoconessimine
342.60
4.4
1
2
15.27
1
Excisanin A
350.40
0.9
4
5
97.99
0
[(2R,3R,5R)-5-[(E,1S)-1-bromohex-3-enyl]-2-[(E)-pent-2-en-4-ynyl]oxolan-3-yl] acetate
355.30
4.1
0
3
35.53
8
1,4,6,8-Tetrahydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
358.30
4
4
7
120.36
3
tryptophan N-glucoside
366.40
-3.6
6
8
158.4
5
Isohydroxymatairesinol
374.40
2.1
3
7
105.45
6
Norcaesalpinin E
376.40
2.1
2
6
96.97
2
1-(4-Hydroxy-3-methoxyphenyl)heptadecan-3-one
376.60
7.6
1
3
46.53
17
7-Hydroxy-3-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
390.50
6.3
2
4
70.67
5
Yomogi alcohol A
154.25
2.6
1
1
20.23
3
Lupulone E
416.50
5
2
5
83.83
7
Himeic Acid A
435.50
3.4
3
8
150.98
14
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