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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
(2Z,4E)-3-methyl-5-[(1R,2R,3R,5S,8S)-2,3,8-trihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
298.33
-0.1
4
6
107.22
3
(E)-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybut-2-enoic acid
300.26
2.1
1
6
89.88
4
Enigmol
301.50
5.5
3
3
66.48
15
(1S,9S,12S,13S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene
310.40
3.2
0
3
19.01
1
Eriophorin C
314.29
3
2
6
89.13
3
1,2-Dimethylcyclohexane
112.21
3.8
0
0
0
0
(2S,7S,9R,12R,13R,17R)-9,17-dihydroxy-2,6,6,13-tetramethyl-15-oxatetracyclo[8.7.0.02,7.012,17]heptadec-1(10)-ene-11,16-dione
348.40
2.2
2
5
83.83
0
3-Isoajmalicine
352.40
2.7
1
4
54.56
2
[6]-Gingerdiol acetate methyl ether
352.50
4.5
1
5
64.99
13
Dictyophlebine
360.60
6.2
1
2
15.27
3
ludongnin G
362.50
3.4
0
5
61.83
1
5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
374.30
3.1
2
8
107.59
5
(4aS,4bS,7R,8S,10aS,10bS,12aR)-8-(3-hydroxyprop-1-en-2-yl)-2,2,4a,10b-tetramethyl-4b,5,7,8,9,10,10a,11,12,12a-decahydro-4H-phenanthro[2,1-d][1,3]dioxin-7-ol
376.50
3.1
2
4
58.92
2
5-[(2S,3S)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-3-methoxybenzene-1,2-diol
390.40
1.5
4
8
117.84
6
[1-(4-Hydroxy-3-methoxyphenyl)-3-oxotetradecan-5-yl] acetate
392.50
5.8
1
5
72.83
16
2-Methylcyclohexanol
114.19
1.8
1
1
20.23
0
11-(2,6-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
402.50
6.4
5
6
118.22
12
methyl (1S,2S,4S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
404.40
-2.7
5
11
167.67
6
[(4R)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(5-methoxy-2,2-dimethylchromen-6-yl)methanone
410.50
4.2
0
6
63.22
5
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5R,8R,8aR)-5,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
418.50
0
6
8
139.84
4
2-Methylcyclohexanone
112.17
1.5
0
1
17.07
0
2-[4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]acetonitrile
441.40
-1.3
6
11
182.09
6
caesalpinin D
446.50
2.5
1
8
112.27
4
2,3-Dimethylpyridine
107.15
1.6
0
1
12.89
0
Symplocosidin
304.29
0.7
4
6
99.38
2
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