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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
6beta-Hydroxyloganin
406.40
-2.4
6
11
175.37
5
4-Hydroxycephalotaxine
331.40
0.4
2
6
71.39
1
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
305.40
2.7
2
4
52.93
4
9,10-Epoxystearic acid
298.50
6.1
1
3
49.83
15
2H-1-Benzopyran-2-one, 6,8-dimethoxy-7-(((1R,4aR,6S,8aS)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy)-
442.50
4.7
1
6
78.13
5
2-[2,6,6-Trimethyl-1-[2,6,6-trimethyl-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)-1-bicyclo[3.1.1]heptanyl]-2-bicyclo[3.1.1]heptanyl]acetic acid
468.80
10
1
2
37.3
4
Methanone, (4-methoxyphenyl)(5,6,7-trimethoxy-1-isoquinolinyl)-
353.40
3.7
0
6
66.88
6
[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
478.50
-0.1
6
12
224.81
8
Atisenol
316.40
3.3
1
3
46.53
0
7-[[3-Methyl-3-[(4-methyl-5-oxooxolan-2-yl)methyl]oxiran-2-yl]methoxy]chromen-2-one
344.40
2.8
0
6
78.27
5
Excavatin M
360.40
1.8
1
7
98.5
5
3beta-Hydroxypregna-5,17(20)-diene-16-one
314.50
4
1
2
37.3
0
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)-
218.21
0
2
4
75.35
0
8-Methyl-3-hentriacontene
448.80
16.3
0
0
0
27
7-[(E)-4-[(2R)-4-(hydroxymethyl)-5-oxo-2H-furan-2-yl]-3-methylbut-2-enoxy]chromen-2-one
342.30
3
1
6
85.97
6
2-Methoxystypandrone
260.24
1.9
1
5
80.67
2
Octyl ferulate
306.40
5.3
1
4
55.76
11
Oryzalexin A
302.50
4.6
1
2
37.3
1
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
786.00
2.4
4
15
199.98
12
Teuquadrin B
402.40
2.7
0
7
92.04
4
(4aS,8S,8aR,9aS)-3,8a-dimethyl-5-methylidene-8-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
408.40
-0.1
4
8
125.68
3
Curculigoside
466.40
0.7
5
11
164.37
9
(3S,3aR,4S,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
280.32
0
2
5
83.83
2
(8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one
652.60
6
8
12
222.26
1
methyl (1S,2R,8R,9R,10R,11R,12R,15R)-8,11-dihydroxy-2,6,9,15-tetramethyl-3,14-dioxo-13-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-4,6-diene-8-carboxylate
376.40
0.3
2
7
110.13
2
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