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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
naphtho[2,1-b]furan-1(2H)-one
184.19
2.7
0
2
26.3
0
2(R), 4(R)-dihydroxypyrrolidine
163.17
-1.8
5
5
92.95
2
(2S)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
338.40
5
1
4
55.76
4
10-[[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
929.10
1.6
10
18
283.98
10
10-[[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
767.00
3.8
7
13
204.83
7
Oxychelerythrine
363.40
3.6
0
5
58.92
2
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
490.40
1.4
6
12
196.35
5
Lupinisoflavone K
436.50
3.9
3
7
109.36
2
Lupinisoflavone L
436.50
3.9
3
7
109.36
2
Lupinisoflavone M
456.50
2.6
5
8
140.59
5
Lupinisoflavone N
472.50
2.2
6
9
160.82
5
2-(methylamino)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
520.70
4.8
4
5
108.56
8
(E)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylprop-2-enamide
489.60
5.3
3
4
96.53
6
2-(dimethylamino)-N-[(10E)-7-(1-hydroxy-2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
550.70
4.8
4
6
120
8
(2E)-trideca-2,12-dien-4,6,8,10-tetraynal
178.19
2.5
0
1
17.07
4
[(2E)-trideca-2,12-dien-4,6,8,10-tetraynyl] acetate
222.24
3
0
2
26.3
6
(2E)-trideca-2,12-dien-4,6,8,10-tetrayn-1-ol
180.20
2.4
1
1
20.23
4
(2E,10E)-trideca-2,10,12-trien-4,6,8-triynal
180.20
2.8
0
1
17.07
4
[(2E,10E)-trideca-2,10,12-trien-4,6,8-triynyl] acetate
224.25
3.2
0
2
26.3
6
(2E,10E)-trideca-2,10,12-trien-4,6,8-triyn-1-ol
182.22
2.7
1
1
20.23
4
(6R,8R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol
194.23
1.6
3
3
60.69
0
Aloe-emodin-glucoside
432.40
0.2
6
10
173.98
4
3,5-Dihydroxy-7-methoxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
332.26
1.5
5
8
140.59
2
isobutyryl(-3)[isobutyryl(-4)][decanoyl(-6)]Glc(a1-2b)Fruf
636.70
3.6
5
14
207.74
21
2,6-Dimethoxy-3-methyl-9H-carbazole
241.28
3.7
1
2
34.25
2
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