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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
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
594.50
-0.6
9
15
249.2
6
methyl (1S,14S,15E,18S)-15-ethylidene-18-(hydroxymethyl)-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
382.50
1.6
2
5
82.63
3
Methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
340.50
3.8
1
3
45.33
3
2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-
340.50
3.8
1
3
45.33
3
methyl (13S,15S)-15-ethyl-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
354.50
3.8
0
3
34.47
3
Vincaminoreine
354.50
3.8
0
3
34.47
3
Vincine
384.50
2.8
1
5
63.93
4
(1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
264.36
0.7
1
3
43.78
0
Sarpagan-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, (16R)-
366.50
1.5
1
4
54.7
3
Vogeletin
316.26
1.9
4
7
120.36
2
(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b-dodecahydrocyclopenta[a]chrysene
408.70
10
0
0
0
1
Wharangin
344.30
2.7
3
8
118.59
2
Wightin
344.30
2.9
2
7
98.36
4
Isoflavone base + 1O, 2MeO, O-Hex
460.40
1
4
10
148.05
6
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione
468.60
3
1
6
93.2
2
1,4,5-Trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
300.26
3.2
3
6
104.06
1
(1R,4S,5R,9S,10S,13R,15R)-15-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
360.50
4.5
1
4
63.6
3
Zaluzanin D
288.34
1.9
0
4
52.6
2
Zapotidine
167.23
0.6
0
2
53.15
0
8-Hydroxy-alpha-humulene
220.35
3.4
1
1
20.23
0
[(1S,4R,6S,7R,13S,14S)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.01,14.04,6.08,12]heptadeca-8(12),10-dien-7-yl] acetate
334.30
0.6
0
7
90.8
2
2,4,5-Trimethoxyphenol
184.19
1.9
1
4
47.92
3
(3Z)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
332.40
3.4
2
4
66.76
3
1,3,6,7-tetrahydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
422.30
-0.4
8
11
201.28
2
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
430.40
1
4
9
138.82
5
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