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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
2(5H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)-
352.30
3.2
0
6
63.22
4
Heptacosanoate;hydron
410.70
1
2
40.13
24
Isopropyl propyl disulfide
150.30
2.6
0
2
50.6
4
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid
444.60
9.2
1
3
54.37
12
CID 11854305
454.70
7.2
1
3
54.37
5
Dehydroandrograpolide Succinate
532.60
2.7
2
10
153.5
13
Capsianoside E
1711.90
0.4
21
37
580.35
43
Capsianside C
1727.90
-0.7
22
38
600.58
43
(2R,3R,4S,5S)-2-[[(1S,2R,3S,9S,17R,19R,22R)-2-hydroxy-22-(2-methoxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
634.80
4.2
4
9
127.07
4
(2R,3R,4S,5S)-2-[[(1S,2R,3S,9S,17R,19R,22R)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
636.80
2.4
6
10
158.3
3
[1,1'-Biphenyl]-4-ol, 2'-methoxy-3,5'-di-2-propenyl-
280.40
5.3
1
2
29.46
6
1-(2,4-Dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
286.28
3.1
3
5
86.99
4
Epiglobulol
222.37
3.7
1
1
20.23
0
[(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate
446.40
3.2
0
9
98.75
10
[(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate
446.40
3.2
0
9
98.75
10
(1S,2Z,7E,11R)-8-(hydroxymethyl)-12,12-dimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
234.33
2.1
1
2
37.3
1
Kissoone C
276.40
2.7
0
3
43.37
3
5,9,10-Trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
394.40
5.3
3
6
100.13
2
(2S)-5,9,10-trihydroxy-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one
396.40
5.7
3
6
100.13
2
Pseudotropinium
142.22
0.8
2
1
24.67
0
(2S,4R,5R)-oxane-2,4,5-triol
134.13
-1.5
3
4
69.92
0
3,13,21-Triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one
289.30
2.6
1
3
46.92
0
(S)-1-(3,4-Dimethoxyphenyl)prop-2-en-1-ol
194.23
1.5
1
3
38.69
4
(5aR,8aR,9S)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
400.40
2.6
2
8
103.68
3
8,12-Epoxy-13,14,15,16-tetranorlabdane
236.39
4.7
0
1
9.23
0
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