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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
Macelignan
328.40
5.2
1
4
47.92
6
Prudomestin
330.29
2.8
3
7
109.36
3
cephalotaxine beta-N-oxide
331.40
0.9
1
5
70.98
1
Dulciol D
336.30
5.2
2
5
83.81
2
Qywqqlpgazoyal-wiyylymnsa-
338.40
2.8
1
3
47.28
3
5-Nonanone
142.24
2.7
0
1
17.07
6
O-Methylpallidine
341.40
2.3
0
5
48
3
Dulxanthone D
342.30
4.3
3
6
100.13
3
Ehretianone
350.40
3.4
1
4
63.6
2
(2S,10S)-6-methoxy-19,19-dimethyl-3,12,20-trioxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21)-hexaen-15-ol
354.40
3.6
1
5
57.15
1
Butyrolactone II
356.30
2.4
3
7
113.29
5
Dihydrolicoisoflavone
356.40
4.1
4
6
107.22
3
(3R,5R,8S,11S,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
358.40
2.2
1
6
85.97
1
[(4S,4aR,6S,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
359.50
3.9
1
5
59
5
3-O-acetylpadmatin
360.30
2.4
3
8
122.52
4
4-[[(5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
360.40
2.4
3
6
88.38
6
(2S)-1-[[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid
363.40
-0.5
2
6
87.07
3
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxane-2-carboxylate
368.29
0.2
4
10
155.89
4
2-[(9Z,12Z)-heptadeca-9,12-dienyl]-6-hydroxybenzoic acid
372.50
8.9
2
3
57.53
15
(E)-beta-farnesene
204.35
6.2
0
0
0
7
clauslactone B
376.40
1.3
2
8
115.43
3
Anastatin B
378.30
3.8
4
7
120.36
1
8,11-Dihydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)pyrano[3,2-c]xanthen-7-one
378.40
5.7
2
5
79.9
2
Julandine
379.50
4.1
0
4
30.93
5
[(5R,5As,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
386.50
4.2
1
5
72.83
5
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