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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[4-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-oxopentanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
|
1132.00
|
-1.1
|
5
|
24
|
463.82
|
23
|
|
|
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-3-oxoheptanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
|
1174.10
|
0.1
|
5
|
24
|
463.82
|
25
|
|
|
4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-N-[3-[2-[3-hydroxy-3-(4-oxidophenyl)propanoyl]sulfanylethylimino]-3-oxidopropyl]-3,3-dimethylbutanimidate
|
927.70
|
-2.6
|
7
|
26
|
477.12
|
23
|
|
|
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[3-oxido-3-[2-[3-(4-oxidophenyl)-3-oxopropanoyl]sulfanylethylimino]propyl]butanimidate
|
925.60
|
-1.9
|
6
|
26
|
473.96
|
23
|
|
|
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-N-[3-[2-(3-hydroxy-3-phenylpropanoyl)sulfanylethylimino]-3-oxidopropyl]-3,3-dimethylbutanimidate
|
911.70
|
-3
|
6
|
25
|
456.89
|
22
|
|
|
3-hydroxy-eicosatrienoyl-CoA
|
1068.00
|
2.1
|
6
|
25
|
456.89
|
34
|
|
|
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoylsulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
|
1090.00
|
-0.9
|
5
|
23
|
446.75
|
21
|
|
|
3-oxo-eicosatrienoyl-CoA
|
1066.00
|
2.2
|
5
|
25
|
453.73
|
34
|
|
|
3-oxocholest-4-en-26-oyl-CoA
|
1160.10
|
3.5
|
5
|
25
|
453.73
|
25
|
|
|
2-[4-[2-[[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino]-1-oxidopropylidene]amino]ethylsulfanyl]-4-oxobutanoyl]benzoate
|
966.70
|
-2.4
|
5
|
27
|
493.86
|
23
|
|
|
[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
|
352.19
|
-4.6
|
6
|
11
|
235.69
|
4
|
|
|
6-Hydroxymethyl-dihydropterin diphosphate
|
352.11
|
-2.7
|
3
|
13
|
237.82
|
4
|
|
|
[3-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)-2,3-dihydroxypropyl] phosphate
|
333.19
|
-4.5
|
5
|
10
|
218.85
|
4
|
|
|
[[[5-(2-Amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
|
535.15
|
-7.7
|
5
|
16
|
359.82
|
7
|
|
|
CID 157010212
|
472.28
|
-4.1
|
3
|
11
|
244.07
|
10
|
|
|
22-(2-Carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate
|
590.70
|
2.6
|
1
|
9
|
137.84
|
7
|
|
|
CID 157010215
|
297.30
|
2.2
|
0
|
3
|
41.43
|
1
|
|
|
[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] (2,3,4,5-tetrahydroxy-6-oxohexanoyl) phosphate
|
617.30
|
-7.2
|
8
|
19
|
381.91
|
13
|
|
|
[(5-acetamido-6-methoxy-6-oxohexyl)amino]-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
|
546.40
|
-3
|
6
|
13
|
265.88
|
13
|
|
|
m7G(5')pppAm
|
798.40
|
-7.6
|
6
|
22
|
425.32
|
13
|
|
|
m7G(5')pppm6Am
|
812.50
|
-6.9
|
6
|
22
|
411.33
|
14
|
|
|
CID 157010251
|
116.14
|
-1.9
|
0
|
2
|
46.03
|
2
|
|
|
4-(1-Oxidoethylideneamino)-5-oxo-5-phosphonooxypentanoate
|
267.13
|
-0.5
|
2
|
9
|
169.19
|
6
|
|
|
CID 157010254
|
167.10
|
-4
|
0
|
4
|
88.13
|
3
|
|
|
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[3-[2-[2-(methylamino)benzoyl]sulfanylethylimino]-3-oxidopropyl]butanimidate
|
896.70
|
-1.6
|
6
|
25
|
448.69
|
21
|
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