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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
Annphenone
344.31
-0.6
5
9
145.91
5
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
302.40
5.7
1
3
42.6
9
2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran
330.50
6.8
1
3
42.6
11
[(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
498.60
5.8
0
8
81.68
7
[(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (E)-2-methylbut-2-enoate
498.60
5.8
0
8
81.68
7
HeteroclitinE
498.50
3
1
9
109.75
5
Androstan-6-one, 3,17-dihydroxy-, (3alpha,5alpha,17beta)-
306.40
2.6
2
3
57.53
0
Adenosine-3'-5'-diphosphate
427.20
-4.6
6
14
252.22
6
Abieta-8,11,13,15-tetraen-18-oic acid
298.40
5.9
1
2
37.3
2
(1R,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
498.50
0.4
5
8
144.71
4
(1S,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
498.50
0.4
5
8
144.71
4
(7S,8R)-5-hydroxy-7,8-dimethyl-10-(3-methylbut-2-enyl)-4-phenyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione
404.50
5.7
1
5
76.74
3
5-Hydroxy-3-(hydroxymethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
416.40
2.1
2
9
116.82
5
2-(3-Hydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
386.40
2.1
2
8
107.59
4
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3,4-dimethylpent-3-enoate
398.40
5.8
2
6
100.9
7
Dihydrodioscorine
223.31
1.8
0
3
29.54
0
16:0 Monomethyl PE
706.00
13
1
8
137.61
40
Oxophoebine
365.30
3.3
0
7
76.11
3
(1S,2R,5S,7R,8S)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
238.37
2.8
2
2
40.46
1
(2S,3R,4S,5S,6R)-2-[2-[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxypropyl)-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
524.60
0.6
7
11
178.53
12
Thevetin
859.00
-1.6
9
18
272.98
10
3,4-Dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoic acid
470.30
1.4
7
13
228.33
3
6''-O-Malonylgenistin
518.40
0.6
6
13
213.42
8
Alismol
220.35
2.7
1
1
20.23
1
(1aS,4aR,7S,7aR,7bS)-7-methyl-4-methylidene-1a-propan-2-yl-3,4a,5,6,7a,7b-hexahydro-2H-azuleno[7,8-b]oxiren-7-ol
236.35
2.4
1
2
32.76
1
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