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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-[(1R,3R,4S)-4-ethenyl-3-(2-hydroxypropan-2-yl)-4-methylcyclohexyl]propan-2-ol
240.38
3.1
2
2
40.46
3
(1R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol
238.37
1.9
2
2
40.46
1
7-Hydroxyheptaphylline
295.30
4.6
3
3
73.32
3
[(3R,5S,8R,9S,10S,13S,14S,17R)-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
360.50
5.5
0
3
43.37
3
(1S,3S)-5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
393.50
4.6
3
5
70.95
3
methyl (2S,4aS,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
706.70
0.9
1
16
209.63
14
methyl (2S,4aR,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
706.70
0.9
1
16
209.63
14
14alpha-hydroxyisocrebrine N-oxide
425.50
3.1
1
6
80.21
4
(1R,3R,4R,4aS,5'S)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
332.40
1
2
5
79.9
2
Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-
430.60
4.9
2
4
58.92
0
Wedeliatrilolactone A
452.50
2.3
1
9
125.43
7
Murrayamine D
347.40
5.8
2
2
45.25
1
(14S,17R,19R)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol
347.40
4.8
1
2
34.39
0
Ergosta-5,24-dien-3beta-ol, acetate
440.70
9.3
0
2
26.3
6
2(5H)-Furanone, 4-(hydroxymethyl)-
114.10
-1.1
1
3
46.53
1
20(R)Ginsenoside Rg2
785.00
3.2
9
13
218.99
9
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
466.40
-0.3
8
12
206.6
4
Choerospondin
434.40
0.6
6
10
166.14
4
Myrtenyl methyl ether
166.26
2.1
0
1
9.23
2
(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
204.35
4.7
0
0
0
0
Carnosic acid gamma-lactone 12-methyl ether
328.40
5.5
0
3
35.53
2
5-Icosylbenzene-1,3-diol
390.60
11.8
2
2
40.46
19
3,7,11,15,19,23,27,31,35,39,43,47,51-Tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-ol
903.50
23.3
1
1
20.23
37
Benzoic acid, 2-(methylamino)-, (1aR,1bS,4S,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
539.60
2.7
4
9
142.39
7
Fuziline
453.60
-1
4
8
111.85
5
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