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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
2,11,11-Trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaen-8-ol
298.40
5.6
1
2
29.46
1
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
634.90
9.3
3
6
96.22
8
[(1R,2R,3aR,5S,6E,10R,11S,13R,13aS)-1,3a-diacetyloxy-11-benzoyloxy-2,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
690.70
4.1
2
12
179.8
10
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
604.90
9.4
3
5
86.99
7
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
634.90
9.3
3
6
96.22
8
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
604.90
9.4
3
5
86.99
7
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
797.00
3.7
8
13
207.99
7
3-Methylcyclohexyl acetate
156.22
2.4
0
2
26.3
2
Juliprosopin
630.00
10.4
4
5
67.76
22
1,4-Dihydroxy-5-methoxy-2-methylanthracene-9,10-dione
284.26
3.6
2
5
83.83
1
Desacetyluvaricin
606.90
11.2
2
6
85.22
25
(5S,5aS,8aR)-5-(1,3-benzodioxol-4-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
352.30
3.2
0
6
63.22
1
[1,3]Dioxolo[4,5-g]isoquinoline
173.17
1.9
0
3
31.35
0
Hadacidin
119.08
-1.2
2
4
77.84
2
Danshenxinkun D
336.40
3.7
1
4
63.6
1
Sitoindoside IV
977.40
12.4
7
12
195.6
27
6-Hydroxycevan-2-yl hexopyranoside
577.80
4
5
8
122.85
3
6-Oxocevan-2-yl hexopyranoside
575.80
3.7
4
8
119.69
3
Kushenol E
424.50
5.9
4
6
107.22
5
4-Methyl-1-pentene
84.16
2.7
0
0
0
2
Kaempferol-3-glucorhamnoside
594.50
-0.4
9
15
249.2
6
Caesalpin J
316.30
0.5
3
6
96.22
1
(2-Hydroxy-6-methoxyphenyl)methyl benzoate
258.27
2.9
1
4
55.76
5
1-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
340.40
4.7
4
5
97.99
5
Ethyl 10-undecenoate
212.33
4.6
0
2
26.3
11
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