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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
Cyclobranol
440.70
10.4
1
1
20.23
4
(23S)-23-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
363.40
4.1
0
6
49.39
1
(1S,5S,5'R,6S,9R,11R)-11-hydroxy-5'-(hydroxymethyl)-4',4'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-2-ene]-1',2-dione
346.40
1.2
2
5
83.83
1
2-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]acetaldehyde
180.29
2.5
0
1
17.07
2
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
478.40
-2.1
6
13
185.99
9
CID 13922640
224.30
0
2
3
57.53
1
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
319.40
4.1
2
3
58.56
10
2-(p-Methoxyphenyl)ethyl beta-d-glucopyranoside
314.33
-0.1
4
7
108.61
6
alpha-Methyl-n-butylshikonin
360.40
5.3
3
5
94.83
6
(2S)-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-5-ol
326.50
6.6
1
2
29.46
4
Mesembrenol
289.40
2.3
1
4
41.93
3
3-(4-Methylfuran-3-yl)propan-1-ol
140.18
1.3
1
2
33.37
3
CID 139267841
290.27
1.8
2
6
100.9
3
(7S)-1-(beta-D-glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate
406.40
-2.7
6
11
175.37
5
(5alpha,8xi,10xi,13xi,25xi)-Cevane-3,6,20-triol
431.70
4.1
3
4
63.93
0
(4alpha,5xi,7alpha,13xi,15alpha)-4,9-Epoxycevane-3,4,7,14,15,16,20-heptol
509.60
-1
7
9
154.08
0
methyl (1S,6R)-6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
428.50
1.6
1
7
86.33
4
Nor-C-fluorocurarine
292.40
2
1
3
32.34
1
Soyasaponin beta-A
1039.20
3.1
10
20
310.28
10
[(1S,4S,5R,6S,8R,9S,13S,16S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
682.80
1
2
11
144.3
10
(4aR,7R,7aR)-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
154.21
2.1
0
2
26.3
0
Methyl 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylate
178.23
3.1
0
2
26.3
2
1-Methoxy-3-methylene-2-pentanone
128.17
1.2
0
2
26.3
4
2-O-Methyl-alpha-D-xylopyranose
164.16
-2
3
5
79.15
1
(2S,3R,4S,5R)-3,4-dimethoxyoxane-2,5-diol
178.18
-1.4
2
5
68.15
2
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