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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
Ageconyflavone A
356.30
2.9
0
7
76.36
4
5-[(3S,3aS,6R,6aS)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
356.40
2.5
1
6
66.38
3
Hierochin A
358.40
2.1
3
6
88.38
6
Butylshikonin
358.40
4.4
2
6
100.9
7
(1R,2R,4S,5R,8R,9S,10R,11R,12S)-4,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
346.40
0.3
3
6
104.06
1
ludongnin J
360.40
3.3
0
5
61.83
1
6-amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1-(5-O-phosphonopentofuranosyl)-9H-purin-1-ium
720.28
-8.8
11
23
425.81
12
(1R,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9,10-dihydroxy-10-(hydroxymethyl)-4,8-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
364.40
2
3
6
100.13
4
praecansone B
366.40
4.5
1
5
64.99
5
Licoarylcoumarin
368.40
4.4
3
6
100.13
4
5,7-dihydroxy-2-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
370.31
-0.4
6
10
170.05
3
[(2R,3R,9S,10S)-12-methyl-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-10-yl] acetate
370.40
4.6
0
5
65.74
4
Ardisiphenol A
378.50
8.8
2
4
66.76
16
5,8,4'-Trihydroxy-7-methoxyflavone 8-O-glucoside
462.40
0.8
6
11
179.28
5
(2S)-4-[(2R)-2,8,13,15,17,18-hexahydroxytriacontyl]-2-methyl-2H-uran-5-one
614.90
7.4
6
8
147.68
29
2'-O-Glucosylrutin
772.70
-2.9
13
21
348.58
9
Cimicifugia acid A
448.40
1.5
6
11
191.05
10
[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
540.50
-1.6
7
13
204.83
9
[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
540.50
-1.6
7
13
204.83
9
[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
526.50
-1.9
8
13
215.83
8
[(1S,4aR,5S,6R,7S,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
540.50
-1.6
7
13
204.83
9
[(1S,4aR,5S,6R,7S,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
540.50
-1.6
7
13
204.83
9
(3S,3aR,6aR,9aR,9bR)-6,9-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3,2'-oxirane]-2-one
246.30
1.7
0
3
38.83
0
(1R,4S,5R,9S,10S,13R,15S)-5,9-dimethyl-14-methylidene-15-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
448.60
6.6
1
4
63.6
5
[(1R,2S,4R,5S,6R,8R,10S,11R)-5-[(3aR,5R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-10-hydroxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-2-yl] acetate
408.50
1.8
1
7
86.75
3
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