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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
Chlorothalonil
265.90
2.9
0
2
47.58
0
1-Hydroxy-3,5,6,7-tetramethoxy-9H-xanthen-9-one
332.30
3
1
7
87.36
4
(2R,4aR,4bS,7R,10aS)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
610.70
1.9
6
11
175.37
6
[(2S,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
640.60
-1
10
16
265.52
12
Scabraside
844.80
2.2
5
20
278.8
17
Phenol, 4-(2-propenyl)-2-(4-(2-propenyl)phenoxy)-
266.30
5.2
1
2
29.46
6
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-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
618.80
4.6
5
8
128.84
7
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-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
618.80
4.6
5
8
128.84
7
methyl (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
374.40
0
4
9
134.91
5
(3S,5S,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
306.40
2.3
2
3
57.53
0
Colosolic acid
472.70
6.4
3
4
77.76
1
(1R,4R,5R,8R,10S,13S,14R,17R,18R,19S,20S,22S)-22-methoxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-ol
472.70
7.9
1
3
38.69
1
8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13-tetrol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8S,14R)-
528.50
4.1
6
9
149.07
2
Robustadial A
386.50
5.5
2
5
83.83
4
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
454.70
9.1
0
2
26.3
7
Robustadial B
386.50
5.5
2
5
83.83
4
(2S)-2-amino-2-[(1S,2S)-2-hydroxycyclopent-3-en-1-yl]acetic acid
157.17
-2.5
3
4
83.55
2
methyl (6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
339.40
3.3
0
4
48
3
methyl (1S,4S,7S,8R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
242.22
-0.6
2
6
85.22
2
[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate
681.10
15.3
1
3
46.53
17
Erythrodiol 3-O-palmitate
681.10
15.5
1
3
46.53
17
Bacopaside III
847.00
2.1
7
16
248.74
8
(3R,3aS,6R,6aS,10aR)-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzofuran-2-one
234.33
3.2
0
2
26.3
0
(1S,2R,4aS,4bR,7R,10aS)-1-(hydroxymethyl)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-ol
320.50
3.4
3
3
60.69
3
(1S,2S,5R,6R,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
346.40
2.7
0
5
61.83
0
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