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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
(4aS,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
318.40
3
1
3
54.37
4
(4aS,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
320.50
2.8
1
3
54.37
5
[(1S,4aS,6S,8aS)-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-2-oxo-1,4a,5,6,7,8-hexahydronaphthalen-1-yl] acetate
360.50
4.3
0
4
60.44
6
(1S,4aS,6S,8aS)-1-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
318.40
3.7
1
3
54.37
4
(4aR,6S,8aR)-6-acetyl-4a-hydroxy-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
236.31
0.4
1
3
54.37
1
(4aR,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
320.50
2.8
1
3
54.37
5
(4aR,6S,8aR)-4a-hydroperoxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
334.40
3
1
4
63.6
5
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
302.50
4.4
0
2
34.14
4
(4aR,6S,8aR)-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
304.50
4.3
0
2
34.14
5
(4aS,6S,8aR)-6-acetyl-4a-hydroxy-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
236.31
0.4
1
3
54.37
1
6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
438.40
0.5
6
11
183.21
7
2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
436.40
0.8
6
11
183.21
7
Campestanyl oleate
667.10
17.7
0
2
26.3
22
1,3-Dihydroxy-2-(methoxymethoxy)anthracene-9,10-dione
300.26
2.6
2
6
93.06
3
6-[(E)-4-hydroxy-4-methylpent-2-enoyl]-4,6-dimethyl-5-(3-methylbut-2-enyl)cyclohexa-1,3-diene-1-carbaldehyde
316.40
2.9
1
3
54.37
6
Phosphoadenosine phosphosulfate
507.27
-5
6
17
303.97
8
[(2S)-2,3-dihydroxypropyl] (10E,12E)-9-oxooctadeca-10,12-dienoate
368.50
4.3
2
5
83.83
18
Kimcuongin
356.40
4.4
0
6
82.81
6
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6a,7,8,8a,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
454.70
7.4
2
3
57.53
1
(4aR,6aR,6aR,6bR,8aR,9S,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
472.70
7
3
4
77.76
2
butyl 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetate
386.40
0.4
5
9
145.91
9
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[[(3R,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]oxan-3-yl] 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
782.70
0.5
5
20
278.8
16
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide
182.30
0.3
0
4
86.88
4
4,5-dihydroxy-2-methyl-1-[(10S)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
640.60
2.9
8
12
222.28
2
4,5-dihydroxy-2-methyl-1-[(10S)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
640.60
2.9
8
12
222.28
2
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