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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
3-Methylcyclopentadecanone
238.41
6.2
0
1
17.07
0
9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-
318.28
2.7
2
7
98.36
3
(1R,3S)-10-hydroxy-7,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
318.32
2.5
1
6
82.06
2
Vitrofolal E
324.30
3.5
2
5
75.99
4
2,3,4-Trihydroxypentanedioic acid
180.11
-2.5
5
7
135.29
4
(Z)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
338.30
3.9
1
6
78.13
4
19E-geissoschizine
352.40
3
2
4
65.56
3
(1R,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-1-ol
355.40
2.4
1
6
60.39
2
5-Hydroxy-7,8,2',5'tetramethoxyflavone
358.30
3.3
1
7
87.36
5
(1S,2S,4S,6S,7R,8S)-6-ethyl-6-(hydroxymethyl)-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
358.40
1.1
2
5
71.03
3
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(E)-3-methylbut-1-enyl]chromen-4-one
368.40
4.4
3
6
100.13
4
Isocorynantheidine
368.50
3.4
1
4
54.56
5
Hydroxymatairesinol
374.40
2.1
3
7
105.45
6
Suranone
374.60
8.9
2
3
57.53
16
6-Methyl-1,3,5-triazine-2,4-diamine
125.13
-0.3
2
5
90.71
0
(S)-(3,4-dimethoxyphenyl)-[(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
388.50
3.1
1
6
66.38
8
(2R,3R,4S,5S,6R)-2-[(1S,3S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
392.50
0
6
8
139.84
7
(1S,2S,3R,4S)-3-[2-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]prop-2-enyl]-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
401.40
4.1
3
3
60.69
4
(3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol
404.50
3.9
2
6
77.38
12
(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
414.70
7.5
2
2
40.46
5
Apo-8'-lycopenal
416.60
10.4
0
1
17.07
12
[(E)-2-[(1S,5S,7S,8S,9S,12S)-2-formyl-5-methoxy-5,9-dimethyl-12-propan-2-yl-4-oxatricyclo[7.3.1.03,7]tridec-2-en-8-yl]ethenyl] 3-methylbut-2-enoate
430.60
5.6
0
5
61.83
7
Laxogenin
430.60
4.9
1
4
55.76
0
[(1R,2S,4R,6S,8S,9R,10S,11S,13S)-2-acetyloxy-6,8-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
434.50
2
2
7
110.13
4
(1R,2R,8R,10R,14S,17R,18R)-17-(furan-3-yl)-2,7,7,18-tetramethyl-6,9,16-trioxapentacyclo[11.7.0.02,8.08,10.014,18]icosa-3,12-diene-5,11,15-trione
438.50
2.5
0
7
95.34
1
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