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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
methyl (2E,6R)-2-(hydroxymethyl)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoate
360.40
-0.6
4
8
125.68
9
Sapintoxin A
523.60
3.3
3
8
122.16
7
1,4-Naphthalenedione, 2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-
364.40
3.9
1
5
80.67
6
(E)-N-[4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
372.40
1.3
3
5
100.79
10
Citramalic acid
148.11
-0.9
3
5
94.83
3
Isolicopyranocoumarin
384.40
2.8
3
7
109.36
2
Sphondin
216.19
2.2
0
4
52.58
1
Hypoglycin B
270.28
-3.2
4
6
129.72
8
tardioxopiperazine A
393.50
5.1
3
2
73.99
6
tardioxopiperazine B
393.50
5.1
3
2
73.99
6
[(4R,12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-15-yl] acetate
394.40
3.1
0
6
71.06
3
(2S,3R,4S,5S,6R)-2-[2-[(2S,4aS,8S,8aS)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
402.50
1.4
5
7
119.61
4
methyl (1R,4aS,5R,7R,9R,10aR)-9-acetyloxy-7-ethenyl-5-hydroxy-1,4a,7-trimethyl-8-oxo-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
404.50
2.7
1
6
89.9
5
2-[(2R,4S,4aS,8S)-4a,8-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid
412.50
1.1
5
8
136.68
5
(+)-Buxaminol C
414.70
4.7
2
3
35.5
3
(3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one
418.40
1.4
5
9
145.91
4
(2S,3R,4S,5S,6R)-2-[[(1S,4S,4aS,7S,8aS)-4-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
418.50
0
6
8
139.84
4
m-Cymene
134.22
4
0
0
0
1
Derrisisoflavone B
422.50
5.5
4
6
111.13
6
[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (E)-2-methyl-6-methylidene-7-oxooct-2-enoate
424.50
3.9
1
6
97.74
10
(+)-Tephrorin A
426.50
2.6
1
7
91.29
5
(3R,3aR,5aR,5bR,9R,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
426.70
8.9
1
1
20.23
1
Lacinilene C 7-methyl ether
260.33
2.5
1
3
46.53
2
(-)-Kurarinone
438.50
5.6
3
6
96.22
7
Crimidine
171.63
2
0
3
29.02
1
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