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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
10-Chloroheptadec-16-en-4,6-diyne-8,9-diol
296.80
4.5
2
2
40.46
10
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
887.10
1.7
9
17
255.91
8
2,3-Dihydro-3-hydroxypyrrolo(2,1-b)quinazolin-9(1H)-one hydrochloride
238.67
2
3
55.12
0
Torosaflavone D
370.30
2.6
4
8
137.43
4
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-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)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
1049.20
-2
12
23
352.13
11
(1S,4R,10S,13S,16S,19S)-27-methoxy-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-25-oxa-3,6,12,15,18,32-hexazapentacyclo[17.12.2.221,24.126,30.06,10]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone
810.90
3
2
10
184.2
4
Derrichalcone
452.50
3.9
3
7
105.45
4
Genkwanol B
558.50
1.7
6
11
183.21
2
(4S)-4-hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
288.29
1.5
1
5
72.83
1
Exiguaflavanone A
424.50
5.8
4
6
107.22
6
Exiguaflavanone B
438.50
6.1
3
6
96.22
7
7-[4-(3-Methylbut-2-enoxy)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
350.40
4.5
0
5
57.9
4
Ginsenoyne K
276.40
4.3
2
3
49.69
10
3-(4-Hydroxyphenyl)propyl tetracosanoate
502.80
13.7
1
3
46.53
27
Tristin
260.28
2.4
3
4
69.92
4
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
422.40
1
6
9
149.07
7
Rubrifloralignan A
388.50
4.6
2
6
77.38
4
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxane-3,4,5-triol
682.70
-1.5
9
16
246.68
12
Adonifoline
365.40
-1
1
8
97.83
0
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
750.70
1.2
2
18
235.18
18
6-O-Syringoylajugol
528.50
-0.4
6
13
193.83
8
Saccatoside
654.60
-2
8
16
246.82
10
[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,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-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
654.60
-2
8
16
246.82
10
NCGC00169930-02_C30H38O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
654.60
-2
8
16
246.82
10
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,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-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
668.60
-1.7
7
16
235.82
11
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