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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
4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
280.30
4
1
3
38.69
5
(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
280.36
1.6
1
4
55.76
1
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
648.90
4.6
5
9
138.07
8
19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(I(2)-D-glucopyranosyloxy)-5-hydroxy-25-methoxy-, cyclic (9R)-9,5-(methyl acetal), (3I(2),5I(2),9I(2),10I+/-,23E)-
662.90
5.1
4
9
127.07
9
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
662.90
5.1
4
9
127.07
9
(3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-Dodecahydro-17-[(1R,3E)-5-(I(2)-D-glucopyranosyloxy)-1,5-dimethyl-3-hexen-1-yl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-3-yl I(2)-D-allopyranoside
781.00
3
8
13
207.99
10
19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(I(2)-D-allopyranosyloxy)-25-(I(2)-D-glucopyranosyloxy)-5-hydroxy-, cyclic 9,5-(methyl acetal), [C(R),3I(2),5I(2),9I(2),10I+/-,23E]-
811.00
3
8
14
217.22
11
19-Norlanost-5-en-24-one, 3-[(6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-22,23,25-trihydroxy-9-methyl-, (3I(2),9I(2),10I+/-,22S,23R)-
815.00
1.4
10
15
256.29
11
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1S,2R,3S,4S,5R,9S,10S,13S,14R)-2,3,13-trihydroxy-5,9-dimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
854.90
-4.1
14
21
355.67
11
[(1R,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
378.50
4.2
1
5
72.83
5
CID 101077823
408.50
4.1
0
6
71.06
3
CID 101077824
408.50
4.1
0
6
71.06
3
[(1S,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
378.50
4.2
1
5
72.83
5
CID 101077828
366.50
5.1
0
4
36.92
2
CID 101077831
366.50
5.1
0
4
36.92
2
(2S)-2-[(4-chlorophenyl)methyl]-2-hydroxy-1-benzofuran-3-one
274.70
3.3
1
3
46.53
2
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
887.00
-0.4
9
18
272.98
8
methyl (1S,3R,5S,8E,11R)-3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-ene-8-carboxylate
292.33
2
0
5
65.13
2
[(3S,3aR,4S,6S,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
346.40
1.8
1
5
72.83
3
3-[[(3R,4R)-4-[(3-hydroxyphenyl)methyl]oxolan-3-yl]methyl]phenol
284.30
3.6
2
3
49.69
4
3,5,5-Trimethylcyclohex-3-en-1-one
138.21
1.6
0
1
17.07
0
tridecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
362.50
8.4
2
4
66.76
15
(1R,3R)-5,10-dihydroxy-9-methoxy-1,3-dimethyl-1H-benzo[g]isochromen-4-one
288.29
3
2
5
75.99
1
3-O-Methylgigantol
288.34
3.3
1
4
47.92
6
Phenol, 3-[2-(3,4,5-trimethoxyphenyl)ethyl]-
288.34
3.7
1
4
47.92
6
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