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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
[(1S,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-3,11-dioxo-2-oxatricyclo[6.3.1.04,12]dodecan-10-yl] acetate
404.50
2.5
1
7
103.04
5
methyl (1R,4aS,5R,7R,8S,9R,10aR)-8-acetyloxy-7-ethenyl-5,9-dihydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
406.50
2.2
2
6
93.06
5
Malfodicfsixpo-kouxddqnsa-
409.60
4.3
3
3
52.49
2
Periplogenin
390.50
1.1
3
5
86.99
1
4-Epicycloeucalenone
424.70
9.6
0
1
17.07
5
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
428.70
10.6
1
2
29.46
12
7-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-5-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
436.50
5.2
3
6
100.13
7
3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl hydrogen sulfate
440.50
1.7
3
9
140.13
9
(25R)-2beta,3beta-Dihydroxy-5beta-spirostan-12-one
446.60
3.9
2
5
75.99
0
CID 10575381
446.60
3.5
2
5
75.99
0
Artonol E
448.50
5.1
3
7
109.36
2
(1S,3S,3aR,8bS)-6,8,8b-trimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-ol
448.50
3.7
1
6
66.38
6
Floribundal
452.50
0.6
1
10
134.66
9
Cbkcrwffmtxfby-hgsakkhusa-
456.70
6.8
2
3
57.53
5
Passifloricin B
458.70
6.6
4
6
107.22
20
(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,4R,5R)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
460.70
7.3
3
4
69.92
6
3-[(1R,1'S,3aR,4S,5S)-1',4-dimethyl-3'-methylidene-1'-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,2'-cyclopentane]-4-yl]propanoic acid
464.60
6.8
1
4
63.6
6
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
466.40
-2
5
11
180.05
9
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(1-hydroxy-2-methylpropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
472.70
7.5
1
3
46.53
3
(4R,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one
474.50
4.5
2
7
94.45
5
3-hydroxy-2-(7-hydroxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
476.40
0.3
6
12
188.51
4
(1S,2S,4R,6S,11R,12S,14R,15R,21S)-14-hydroxy-17-(hydroxymethyl)-3',4',11,21-tetramethylspiro[5-oxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosa-8,17-diene-15,5'-furan]-2',10,16-trione
480.50
1.6
2
7
113.43
1
[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
482.70
8.6
0
3
43.37
6
[(2E,4R)-3,7-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-2,6-dien-4-yl] 3,4,5-trihydroxybenzoate
484.50
1.4
7
11
186.37
10
(3S,4S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyoctanoic acid
488.50
0.7
7
12
203.44
12
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