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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
2-[(2S,5R)-5-methyl-5-(9H-pyrido[3,4-b]indol-1-ylmethyl)oxolan-2-yl]propan-2-ol
324.40
3.2
2
3
58.14
3
3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-7-ol
336.40
4
1
4
47.92
2
(2S,4R,4aS,7aS,8R,10aS,11bR)-4-(hydroxymethyl)-4,7a,11b-trimethyl-2,3,4a,5,6,7,8,9,10a,11-decahydro-1H-naphtho[2,1-f][1]benzofuran-2,8-diol
336.50
1.5
3
4
69.92
1
Crotin
340.40
3.9
3
5
86.99
4
Enterolactone
298.30
3.3
2
4
66.76
4
[(3aR,4R,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2,8-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
366.40
0.9
2
7
110.13
3
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enoxymethyl)chromen-4-one
384.40
3.5
4
7
120.36
5
Peramine
247.30
-0.6
2
2
90.81
4
(2S)-3-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
622.90
9.2
3
7
105.45
25
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
416.70
7.7
2
2
40.46
5
3-Methylbenzyl alcohol
122.16
1.6
1
1
20.23
1
[2-[11-(2,6-dihydroxy-4-methoxy-phenyl)-11-oxo-undecyl]-3-hydroxy-phenyl] Acetate
458.50
6.9
3
7
113.29
15
(3S,7S,8S,11R,16R,19R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
458.70
6.9
3
3
60.69
1
(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
466.60
6.8
1
6
74.22
9
3-Chlorobenzaldehyde
140.56
2.4
0
1
17.07
1
1-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,5-diol
478.50
7.1
4
6
99.38
3
6-o-(4-Methoxybenzoyl)ajugol
482.50
0
5
11
164.37
7
[(3S,6R,8R,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-22-oxo-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate
498.70
7.1
1
4
63.6
2
Isoorientin
448.40
-0.2
8
11
201.28
3
Unii-1IA46M0D13
564.50
0.6
9
12
217.6
2
Kahweol
314.40
3.4
2
3
53.6
1
Valerate
101.12
2
0
2
40.13
2
Latifolian A
533.40
6
11
161.51
0
(1S,9R,17S)-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-4,5,12,13,20,21-hexol
420.40
2.9
6
6
121.38
0
(21S,22S)-22-methyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene-13,27-diol
548.60
4.6
2
7
103.57
0
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