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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,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]oxane-3,4,5-triol
314.37
0.5
4
6
99.38
5
Oryzafuran
316.26
2.4
4
7
120.36
3
D-Linalool 3-glucoside
316.39
1.1
4
6
99.38
7
(+)-phytocassane D
316.40
3.3
1
3
54.37
1
4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl
318.30
5.7
4
4
80.92
1
ent-Gallocatechin 4'-methyl ether
320.29
0.3
5
7
119.61
2
(12S,13S)-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde
322.40
1.9
0
4
60.44
1
(1R,5S,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
864.80
3.3
14
18
320.14
4
6-O-(e)-p-coumaroyl glucopyranose
326.30
-0.8
5
8
136.68
5
Ophiopogonone A
326.30
3.5
2
6
89.13
2
6-propan-2-yl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohepta-2,4,6-trien-1-one
326.34
0.3
4
7
116.45
4
(12S)-11-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
327.30
2.4
2
6
71.39
1
Avenanthramide B
329.30
2.5
4
6
116.09
5
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
329.39
-1.3
3
7
99.46
7
4-Glucogallic acid
332.26
-1.7
7
10
177.14
4
(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
332.40
4.9
1
4
63.6
4
(2S)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-2H-anthracene-1-carbaldehyde
338.40
1.5
1
5
88.51
4
(2S,2'R,3'S,8'S)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
542.50
4
6
10
166.14
2
Hept-4-en-2-ol
114.19
1.7
1
1
20.23
3
Austrobailignan 7
342.40
3.9
1
5
57.15
3
Niazinin
343.40
0.4
4
7
132.5
5
Taxiresinol
346.40
2.1
4
6
99.38
5
[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
348.40
2.8
1
5
72.83
3
(1S,6S,7R,8R,8aR)-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
351.35
-3.8
7
10
163.31
3
(3aR,4S,6Z,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
264.32
0.6
2
4
66.76
1
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