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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
(4R,5S,6S,7S,11S)-5,7-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
212.20
-0.8
2
5
75.99
0
Vulgarole
212.28
1.9
1
3
46.53
2
(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
213.27
2.9
1
1
29.1
5
2-(1a-hydroxy-2H-oxireno[2,3-b]indol-6b-yl)acetic acid
207.18
-0.1
3
5
82.09
2
(7E,13E)-pentadeca-7,13-dien-9,11-diyn-4-one
214.30
3.5
0
1
17.07
6
(7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-one
214.30
4.1
0
1
17.07
6
[(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
821.80
-0.4
2
20
272.98
13
[(4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
510.50
-1
7
12
195.6
7
(1S,2S)-1-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propane-1,2,3-triol
410.40
-0.4
6
9
149.07
10
(4Z,6E)-9-thiophen-2-ylnona-4,6-dien-8-yn-3-one
216.30
3.3
0
2
45.31
4
(2E,8E,10E)-tetradeca-2,8,10-trien-4,6-diyne-1,14-diol
216.27
2.1
2
2
40.46
6
(E)-pentadec-13-en-9,11-diyn-6-one
216.32
3.9
0
1
17.07
7
(E)-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide
219.30
2.3
1
2
54.4
4
Tanakamine
219.28
1.5
3
2
56.25
3
methyl (2E,8E)-9-methylsulfanyldeca-2,8-dien-4,6-diynoate
220.29
2.7
0
3
51.6
4
methyl (2E,4Z)-4-methylsulfanyldeca-2,4-dien-6,8-diynoate
220.29
2.7
0
3
51.6
5
[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (2E,4R,6E,10Z,14S)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate
1581.80
-0.4
20
34
541.66
41
6-[(3S,3aR,6S,6aR)-6-hydroxy-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxol-5-ol
266.25
0.5
2
6
77.38
1
1,3-benzodioxol-5-yl-[(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxolan-3-yl]methanone
694.60
-1.3
7
17
241.75
10
1-[(1S,4aS,5R,8aS)-5-hydroxy-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]ethanone
220.31
1.1
1
2
37.3
1
(R)-2,7(14),9-Bisabolatrien-11-ol
220.35
3.6
1
1
20.23
4
(4aR,9aR)-3,5,5,9a-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-9-one
220.35
3.4
0
1
17.07
0
(1S,5R,6R,7S,10S)-2,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-2-en-6-ol
220.35
3.4
1
1
20.23
0
6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-8-one
221.25
0.9
0
4
38.77
2
9-(Methylsulfonyl)nonylamine
221.36
1.7
1
3
68.54
9
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