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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
(1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol
238.37
2.8
1
2
29.46
0
Kessyl glycol
254.36
1.7
2
3
49.69
0
(1S,2S,3R,5R,6R,8S,12S)-1,5,9,9-Tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,12-diol
254.36
1.7
2
3
49.69
0
[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl] (E)-2-methylbut-2-enoate
552.70
4
0
8
109.11
7
[(1S,2R,4S,7R,8S,11R,12S,13S,15R,17S,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
586.70
4.5
0
10
130.87
7
(3S,3aS,6R,8aS)-3,7,7-Trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene
204.35
5.1
0
0
0
0
(1S,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
234.33
3.6
1
2
37.3
1
CID 12304863
220.35
3.1
1
1
20.23
2
Khusol
220.35
3.1
1
1
20.23
2
(1R,4S,4aR,7S,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,7-diol
238.37
2.2
2
2
40.46
1
methyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
404.40
-1.7
4
11
161.21
5
Kingiside
404.40
-1.7
4
11
161.21
5
methyl (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
404.40
-1.7
4
11
161.21
5
5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol
464.60
3.1
4
6
99.38
0
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,14S,15R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol
464.60
3.1
4
6
99.38
0
2-O-beta-D-Glucopyranosyl-D-glucopyranose
342.30
-4.2
8
11
189.53
4
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
536.70
0
5
9
145.91
3
(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
222.37
3.7
1
1
20.23
0
(1aS,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
222.37
3.7
1
1
20.23
0
Globulol
222.37
3.7
1
1
20.23
0
(1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
200.28
2.4
1
1
19.03
0
(-)-Leucofisetinidin
290.27
0.7
5
6
110.38
1
6-Methoxy-9-methyl-7-(3-methyl-2-oxobutyl)-[1,3]dioxolo[4,5-h]quinolin-8-one
317.34
1.7
0
5
66.76
4
Lup-20(29)-ene
410.70
11.4
0
0
0
1
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene
410.70
10.4
0
0
0
0
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