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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)-3,4,5-trihydroxy-6-(2-hydroxy-5-methoxy-6-oxo-9-phenylphenalen-1-yl)oxyoxan-2-yl]methyl N-carbamoylcarbamate
566.50
2.1
6
11
207.1
7
(1S,9R,11S,12R)-1-benzoyl-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione
568.80
9.6
0
4
60.44
9
Artabonatine F
584.60
8.2
2
8
79.44
3
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-2,4,5,6,7,7a-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one
600.90
9.7
2
4
66.76
10
[(1S,1'R,3'R,4S,4'R,5S,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
660.80
3.9
3
10
136.44
4
[(1S,2S,3R,4S,5S,7S,9R,10R,12R,15S,16S,17S)-4,9-diacetyloxy-3-benzoyloxy-5,10,15-trihydroxy-2,6,6,12-tetramethyl-11,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadecan-17-yl] benzoate
696.70
3.5
3
13
184.35
10
Decaprenol
699.20
17.8
1
1
20.23
28
[(1R,2S,3S,4S,5R,6R,7R,8S,9S)-4,8-diacetyloxy-3,7-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate
715.70
4.4
1
13
173.85
13
Siphonol E
736.80
3.5
2
14
206.1
14
Niruride
770.70
2.1
2
17
225.95
21
Malonaldehyde
72.06
-0.6
0
2
34.14
2
Namonin E
1045.20
-1.2
11
22
331.9
15
(2R,3R,8R,9S,10R,13S,14S,17Z)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-10,13-dimethyl-17-[(6R)-6-methyl-3-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-ylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one
1225.30
-5.6
17
29
470.35
19
Swinholide a
1389.90
10.5
8
20
288.28
16
Cyclohexa-1,3-diene-1-carbaldehyde
108.14
1.4
0
1
17.07
1
(R)-5,7-Dimethylocta-1,6-diene
138.25
4.2
0
0
0
4
Methyl alpha-L-arabinofuranoside
164.16
-1.6
3
5
79.15
2
Formamide, N-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-
179.22
0.8
2
2
49.33
3
1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
216.24
0.6
1
3
52.9
1
Ethyl isothiocyanate
87.15
1.5
0
2
44.45
1
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
222.37
3.6
1
1
20.23
1
2-Decen-1-one, 1-(1-piperidinyl)-, (2E)-
237.38
4.5
0
1
20.31
7
(1S,3R,6S,7S,10S,11R)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
248.32
1.8
0
3
38.83
0
Valdiviolide
250.33
3.2
1
3
46.53
0
(1S,2R,4S)-1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexane-1,2,4-triol
256.38
2.3
3
3
60.69
4
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