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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
Klyxumine A
456.60
1.7
3
8
122.52
5
(E,5R,6S)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-3-ene-2,5-diol
458.70
6.8
3
3
60.69
4
Peonidin-3-galactoside
463.40
7
10
180.6
5
Ophioglonin 7-O-beta-D-glucopyranoside
476.40
0.3
7
12
199.51
3
3'-Methylacetophenone
134.17
2.3
0
1
17.07
1
(E)-3-[(1S,2S,5R,6S)-2-(1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-piperidin-1-ylprop-2-en-1-one
520.70
6.5
0
4
59.08
8
Pityriarubin C
525.50
4.8
4
5
128.04
3
3-[Hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
286.33
1.6
1
4
64.35
4
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]oxane-3,4,5-triol
536.50
-0.1
7
12
187.76
9
(2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
564.90
11.8
2
5
75.99
26
Javanicolide D
566.60
-0.5
5
12
189.28
6
staminol D
568.60
3.2
2
10
153.5
8
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
602.90
11.6
1
4
55.76
5
Opercurin A
720.80
1
6
13
217.35
9
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
736.90
3.2
7
12
195.6
6
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-benzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
1161.30
4.5
10
22
336.58
16
Acetophenone-2',3',4',5',6'-d5
125.18
1.6
0
1
17.07
1
Undec-3-EN-2-one
168.28
3.9
0
1
17.07
7
3-Heptanone, 4-methyl-, (4S)-
128.21
2.4
0
1
17.07
4
6-O-beta-D-Galactopyranosyl-D-galactose
342.30
-4.7
8
11
189.53
4
Benzenemethanol, I+/--ethenyl-4-hydroxy-, 1-acetate
192.21
2.1
1
3
46.53
4
Arhimachalene
202.33
5.4
0
0
0
0
Glucoscillaren A
854.90
-1.9
10
18
287.89
9
Echinocidin A
236.35
2.5
2
2
40.46
1
(3aS,5aS,8S,9bS)-8-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
248.32
1.6
1
3
46.53
0
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