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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
4,9-Anhydrotetrodotoxin
301.25
-4.9
6
8
159.02
1
2-methoxy-5-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
310.30
4
1
4
47.92
6
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthrene-1,4,10-trione
314.40
4.3
0
3
51.21
1
4-[(2S,3S,4R,5R)-5-(3,4-dihydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
316.30
3.1
4
5
90.15
2
(1R,12R)-4-hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16)-tetraene-8,11-dione
326.40
4.1
1
4
63.6
1
[(1Z,3S,5E)-3-acetyloxy-6,10-dimethyl-2-(2-oxoethyl)undeca-1,5,9-trien-7-ynyl] acetate
332.40
3.5
0
5
69.67
10
(2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
334.28
1.5
5
8
136.68
2
Puerarone
336.30
3.4
2
5
79.9
1
(1R,2S,4aS,4bS,7R,8S,8aS)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol
336.50
2.1
4
4
80.92
3
[4-[2-(3,5-Dihydroxyphenyl)ethyl]-2-(3-methylbut-2-enyl)phenyl] acetate
340.40
5.1
2
4
66.76
7
[(9R,10R)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
344.40
2.6
1
6
85.97
3
(3R,4aS,6aS,7R,10aR,11aS,11bR)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,7,10a,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one
350.40
1.4
3
5
86.99
0
Thalicthuberine
353.40
4.5
0
5
40.16
5
ludongnin I
362.50
3.4
0
5
61.83
1
(23R)-12,13-dimethoxy-5,7-dioxa-19-azahexacyclo[15.7.0.02,10.04,8.011,16.019,23]tetracosa-1(17),2,4(8),9,11(16),12,14-heptaene
377.40
4.6
0
5
40.16
2
2,5,6-Trimethyldecane
184.36
6.4
0
0
0
7
tanariflavanone D
440.50
4.8
5
7
127.45
7
2-[(8aR,10aS)-4-hydroxy-8,8,10a-trimethyl-8a,9-dihydro-7H-xanthen-1-yl]-5,7-dihydroxy-3-methoxychromen-4-one
450.50
5.2
3
7
109.36
2
[(1'S,2S,2'R,3'R,5'S,8'R,9'R,10'R,14'S)-9'-acetyloxy-2',5',14'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-10'-yl] acetate
452.50
0.5
3
8
125.82
4
2,2,3-Trimethyldecane
184.36
6.5
0
0
0
7
Norcaesalpinin D
476.50
2.2
1
9
129.34
6
[(2S,3S,4aS,6R,7S,8S,8aR)-7,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl 3,4,5-trihydroxybenzoate
510.40
-0.6
7
13
204.83
7
3-(3-tert-Butylphenyl)-2-methylpropanal
204.31
3.9
0
1
17.07
4
[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-[benzoyl(methyl)amino]-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
522.80
7.2
0
4
49.85
6
2-[4-[2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-5,7-dihydroxychromen-4-one
526.50
2.8
5
11
168.28
9
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