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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,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
574.80
7
4
6
99.38
8
Isorhamnetin-3-O-neohespeidoside
624.50
-0.4
9
16
258.43
7
firmianone B
662.70
1
9
12
217.6
5
Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside
740.70
1.4
9
17
275.5
10
Sapinmusaponin I
925.10
3.4
8
16
235.68
10
[(2R,3R,4S,5R,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl] acetate
1075.20
-0.6
11
23
341.13
13
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1239.30
-3.4
17
28
453.28
14
5-(113C)methyl-2-(1,3-13C2)propan-2-ylidenecyclohexan-1-one
155.21
2.8
0
1
17.07
0
sapinofuranone B
182.22
1.1
1
3
46.53
3
2-[(2R)-5-butyl-3-oxofuran-2-yl]acetic acid
198.22
1.3
1
4
63.6
5
(1S,4R,5S,7S,10R,11S)-5,10,11-trimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
218.33
3.5
0
1
17.07
0
(1R,2R,10S,13R,14R,15S)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
263.37
1.4
1
3
40.54
0
2-Methylthio-trans-zeatin (2MeStZ)
265.34
1.5
3
6
112.02
5
Bauhiniastatin 4
270.28
3.6
2
4
58.92
1
(E)-2-methyl-N-[4-[3-[[(E)-2-methylbut-2-enoyl]amino]propylamino]butyl]but-2-enamide
309.40
1.9
3
3
70.23
11
Dihydrotamarixetin
318.28
1.8
4
7
116.45
2
Andrograpanin
318.40
4.2
1
3
46.53
4
Demethylsalvicanol
318.40
4.7
3
3
60.69
1
3-Dodecanone, 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-
322.40
5
2
4
66.76
12
(1S,9S,10R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-12-one
329.40
2.3
1
5
59
2
Neotuberostemonine
375.50
3.9
0
5
55.84
2
11,21-Dihydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one
392.40
4.7
2
6
89.13
0
(2S,3R,4S,5S,6R)-2-[[(1R,3R,4aR,6R,7S,7aS)-3-chloro-6,7-dihydroxy-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
400.80
-2.1
7
10
169.3
4
(E)-N-[2-[4-[(3E)-3,7-dimethyl-5-oxoocta-3,6-dienoxy]phenyl]ethyl]-N-methyl-3-methylsulfonylprop-2-enamide
433.60
3.6
0
5
89.13
11
7-O-Galloyltricetiflavan
442.40
2.7
7
10
177.14
4
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