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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)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
330.29
-1.3
5
9
145.91
5
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-yloxy]oxane-3,4,5-triol
332.39
-1
5
7
119.61
5
Kalkipyrone A
332.40
4.3
1
4
59.67
7
[(2S,4R,5R,6S,7R)-7-hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] 3-methylbut-2-enoate
332.40
3.9
1
4
63.6
4
[(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl] acetate
333.40
1.4
1
5
77.76
6
Methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
342.30
4
2
3
74.95
2
2-Methoxygliricidol
344.30
1.7
2
7
94.45
2
(1R,2S)-2-Hydroxy-2-(4-methoxyphenyl)-1-methylethyl I(2)-D-glucopyranoside
344.36
-0.8
5
8
128.84
6
Glycyrrhizaisoflavone C
368.40
3.4
2
6
89.13
2
Micromarin B
376.40
2.2
2
7
106.2
9
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxy-10-methylacridin-9-one
393.50
6.4
3
5
82.69
5
Isoalvaxanthone
396.40
6
4
6
111.13
4
(2R,3R,4S,5S,6R)-2-[[(1S,4S,4aS,8aS)-4-hydroxy-4,8a-dimethyl-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
400.50
1
5
7
119.61
3
Pumilaside C
400.50
0.4
5
7
119.61
4
(E)-2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal
404.40
3.4
0
7
95.95
5
4beta-Hydroxyverazine
413.60
4.8
2
3
52.82
2
Caesaldekarine
414.50
4.1
1
6
85.97
4
(24S)-4-epicyclomusalenone
424.70
9.7
0
1
17.07
5
Stypoquinonic acid
426.60
5.7
1
4
71.44
5
(1S,2S,5R,6R,9S,10R,13R,15S)-5,9,14,14-tetramethyl-6-[(Z)-6-methylhept-2-en-2-yl]-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane
426.70
9.9
0
1
9.23
4
(3R,3aR,5aR,5bS,9R,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
426.70
9
1
1
20.23
1
[(3R,3aS,5aR,5bR,7aS,11aS,13aS,13bS)-5a,8,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-3a-yl]methanol
426.70
9.1
1
1
20.23
2
Nardostachysin
430.50
2.8
2
6
93.06
5
Sinensol B
430.50
6.9
2
4
58.92
6
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(2S,3R,5S)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
430.70
6.4
2
3
57.53
5
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