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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
(8R,21S)-13,27-dimethoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
576.70
6.3
0
7
52.63
2
(1S,2S,3S,3'R,4R,4'R,6R)-3-ethyl-1,4'-dihydroxy-3'-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridec-11-ene-4,5'-oxolane]-2',13-dione
435.50
1
2
9
122.6
2
[3-Methyl-11-(4-oxocyclohexa-2,5-dien-1-ylidene)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-yl] hydrogen sulfate
374.40
2.6
1
7
95.53
2
Rel-squamocin-K
578.90
10.1
2
6
85.22
23
1-[(3aS,4S,5S,7aR)-Octahydro-7a-methyl-5-(1-methylethyl)-1H-inden-4-yl]ethanone
222.37
4.7
0
1
17.07
2
[(2R,3S,5R,8R,10S,12R)-12-hydroxy-5,10,15-trimethyl-14-oxo-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-2-yl] acetate
338.40
-0.1
1
7
97.89
2
(2R,3S,5R,8R,10S,12R)-2,12-dihydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
296.31
-0.7
2
6
91.82
0
(2R,6S,7aR)-2-[(2Z,4E,6Z,8E,10Z,12E,14Z,16E)-17-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
584.90
10
2
3
49.69
9
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] dodecanoate
1251.50
8.2
8
24
333.04
26
[(2S,3R,4R,5S,6S)-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-3-yl] decanoate
1139.40
5.2
9
23
326.97
20
(1R,3R,4S)-4-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
288.29
0.8
1
5
72.83
1
(3S)-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-4,9-dione
244.24
1.1
0
4
52.6
1
(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)cyclohex-3-en-1-yl]penta-2,4-dien-1-one
588.60
6.1
3
9
123.91
11
(1R,2R,4S,8R,10R,13S,15R)-8-hydroxy-15-methyl-6-azapentacyclo[8.6.0.01,6.02,13.04,10]hexadecan-11-one
261.36
1.1
1
3
40.54
0
(1R,14R)-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol
594.70
5.7
2
8
83.86
2
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)oxyoxane-2-carboxylic acid
404.30
0.8
5
10
166.89
3
Indoxyl sulfate
213.21
1.3
2
4
87.77
2
[(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
400.40
-0.9
3
10
140.98
6
[(2R,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxyoxan-4-yl] 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
698.60
-0.6
7
18
266.66
12
(1S,8R)-1-hydroxy-3,13-diazatricyclo[11.3.1.03,8]heptadecane-4,9,17-trione
294.35
-0.7
1
4
77.92
0
(2S,3R,4S,5S,6R)-6-((Cinnamoyloxy)methyl)-4,5-dihydroxy-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
608.60
3
5
12
189.28
13
Suffruticoside B
612.50
-1.2
8
16
251.36
11
Suffruticoside C
612.50
-1.5
8
16
251.36
10
(6S)-2,2-dimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-one
222.32
2.3
0
2
26.3
1
(2S)-3-benzyl-2-hydroxy-4-phenyl-2H-furan-5-one
266.29
2.8
1
3
46.53
3
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