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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
Valtropine
225.33
2.7
0
3
29.54
4
1-[(2S)-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
232.27
2.9
0
3
35.53
3
2-Amino-4-dimethylsulfoniobutanoate;hydrochloride
199.70
2
3
66.15
3
(3R,4S,5R)-Butyl 3,4,5-Trihydroxycyclohex-1-enecarboxylate
230.26
-0.1
3
5
86.99
5
5-Hydroxy-2,2,8-trimethylpyrano[3,2-g]chromen-6-one
258.27
3
1
4
59.67
0
(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17R,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
499.60
-2.5
5
10
141.31
6
2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
938.00
14
25
431.07
25
CID 131675179
236.35
2.7
0
2
34.14
1
10|A-Hydroxyepigambogic acid
646.80
6.4
3
9
139.59
8
[(1S,3R,14S,17S,18R,19R,20R,21S,22R,24R,25S)-18,21,22-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate
929.90
3.8
1
19
252.75
15
(3R,4'R)-4',6,6-Trimethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one
286.40
4.3
0
3
35.53
0
Methylkushenol C
452.50
5.1
4
7
120.36
7
5-(6-hydroxy-1-benzofuran-2-yl)-2-[(9S)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]benzene-1,3-diol
442.50
4.8
4
6
103.29
2
Albanin C
438.50
4.6
4
7
120.36
4
Magnoloside D
624.60
-0.5
9
15
245.29
11
23-Nor-6-oxopristimerol
466.60
6.5
2
5
83.83
2
[(1R,2S,6R,9R,10R,11R,12S,14R,15R)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate
596.70
3.9
0
9
110.5
9
Chloranthalactone E
262.30
0.4
2
4
66.76
0
8beta,9alpha-Dihydroxylindan-4(5),7(11)-dien-8alpha,12-olide
262.30
0.1
2
4
66.76
0
Genkwanol C
558.50
1.7
6
11
183.21
2
Rutaevin 7-acetate
528.50
1.8
0
10
130.87
3
[(1S,2S,4S,5R,10R,11S,14S,15Z,16S,18S)-15-[1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethylidene]-5-hydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-16-yl] acetate
510.60
3.3
1
7
102.43
3
(1S,9R)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
433.50
3
3
6
110.79
4
Ramontoside
702.70
1.4
4
16
199.52
10
dimethyl (1S,4S,5R,6S,7S,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
720.70
-0.6
3
16
215.34
10
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