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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
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1033.20
0.4
12
20
316.6
9
(2R,4S)-4-hydroxypiperidine-2-carboxylic acid
145.16
-3
3
4
69.56
1
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI)
147.17
-1.4
4
4
72.72
1
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde
155.17
1.2
1
3
46.53
2
(2S,3S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
159.18
0.6
1
3
60.36
0
(E)-2-Isopropenyl-5-methyl-3-hexene-1,5-diol
170.25
1.4
2
2
40.46
4
6,7-dimethoxy-4H-chromene
192.21
2.3
0
3
27.69
2
Annuionone A
224.30
0.5
0
3
43.37
3
5-Hydroxy-3-methylbenzo[f][2]benzofuran-4,9-dione
228.20
2.5
1
4
67.51
0
(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one
236.35
2.4
1
2
37.3
0
(1S,2R,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-2,3-dimethylbicyclo[2.2.1]heptan-2-ol
238.37
2.8
2
2
40.46
4
Toddaquinoline
239.23
2.9
1
4
51.58
0
Coelonin
242.27
3.1
2
3
49.69
1
3-(3,4-Dihydroxyphenyl)-N-phenethylpropenamide, (E)-
283.32
2.7
3
3
69.56
5
(E)-5-[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
290.50
5.8
1
1
20.23
4
(3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol
302.50
5.2
2
2
40.46
1
Daturabietatriene
302.50
4.2
2
2
40.46
2
(1S,3R,3aR,7aS)-1-ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylidene-2,3,3a,7a-tetrahydro-1H-inden-4-one
310.40
3.8
1
3
46.53
4
(1R,4S,5R,9S,10R,13S)-13-(hydroxymethyl)-5,9-dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
318.40
3.6
1
3
54.37
2
14-[(2S,5R,6R)-5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
341.50
4.7
3
4
69.56
14
(E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enoic acid
344.30
1.8
4
7
116.45
4
(7S,8S)-methoxy-3',7-epoxy-8,4'-oxyneolignan-4,9,9'-triol
346.40
2.1
3
6
88.38
6
Dryopteric acid
348.30
-0.4
6
8
147.68
3
(1R,2R,4S,6S,9S,10S,11S,13S)-2,6,11-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione
348.40
1
3
5
94.83
0
1-(2,6-Dihydroxy-4-methoxy-phenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one
416.50
6.7
4
6
107.22
13
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