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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
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
450.40
0.4
7
11
186.37
3
(9R,10S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-5-ol
402.50
4.9
1
6
66.38
5
[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4R,5S,9R,10S,13R)-13-[(2R,3S,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
937.00
-2.7
13
22
353.9
12
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
626.50
-1.8
11
17
289.66
7
(1S,3R,9S,10S,11R,14R,15R,16S)-10-ethyl-14-methyl-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
375.50
3.9
0
5
55.84
2
(10R)-10-(hydroxymethyl)-14-methoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,15-triol
318.32
1.3
4
6
99.38
2
(1S,11S,13R,16S,18R)-11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
359.40
2.2
0
6
49.39
3
(1S,11S,13R,16S,18S)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
345.40
1.7
1
6
58.18
3
(1S,11R,13R,16S,18S)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
345.40
1.7
1
6
58.18
3
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
238.37
2.8
2
2
40.46
0
(1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-diol
238.37
2.9
2
2
40.46
0
4'-Demethyleucomin
284.26
2.8
3
5
86.99
1
[(1S,4R,4aR,5R,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-1,5-dihydroxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
392.50
2.4
2
6
92.43
6
(1S,13S,16S,18S)-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,11,19-pentaen-14-one
326.30
1.2
0
5
60.36
1
(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
466.60
4.4
2
6
63.19
6
7'-O-Dmethylcephaeline
452.60
4.1
3
6
74.19
5
(1S,3S,5R,6R,7S,8R,11R,12S,13S,16S,18S,19R,21R,22S)-6,7-dihydroxy-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-18-methyl-2,4,9,15,20-pentaoxahexacyclo[9.8.2.113,16.03,8.013,21.019,22]docosane-10,14-dione
504.50
0.2
4
11
161.21
2
Ixorapeptide I
500.60
5.7
2
5
93.73
11
Strychnistenolide
262.30
0.3
2
4
66.76
0
12-Deoxytanshinquinone B
264.30
4.2
0
2
34.14
1
[(3S,5R,9R,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-6-oxo-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
568.70
3.7
4
7
124.29
8
Epoxy nimonol
468.60
3.9
1
6
89.27
3
6-Hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
358.30
2.7
1
7
87.36
5
7-[(E)-3-methyl-4-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one
326.30
3.7
0
5
65.74
5
clauslactone I
360.40
2.4
2
7
106.2
6
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