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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
Acronyculatin D
266.29
2.3
3
5
86.99
5
4-Methoxybrassinin
266.40
2.7
2
3
94.44
4
(2R,3S,4R,4aS)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
291.26
-1.4
4
6
108.25
0
(2S,3aS,5S,7aS)-5-[(2S)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-ol
291.40
1.8
2
4
52.93
3
(R)-Acerogenin B
298.40
4.1
2
3
49.69
0
Arucadiol
298.40
4.6
2
3
57.53
1
3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
390.50
1.6
3
5
86.99
1
(1R,2R,5R,8S,11S,12R)-12-methyl-6-methylidene-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-13-one
300.40
4.8
0
2
26.3
0
Stemodin
306.50
4.2
2
2
40.46
0
(1S,12S)-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
309.30
2.5
1
5
48.95
0
(3S,4S,8Z,11S,16R)-16-hydroxy-4,8,15,15-tetramethyltricyclo[9.3.1.13,14]hexadeca-1(14),8-diene-2,6-dione
316.40
2.2
1
3
54.37
0
Goniodiol diacetate
318.32
2.1
0
6
78.9
7
Retrofractamide A
327.40
5
1
3
47.56
8
(2S,3R,4S,5S,6R)-2-[2-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
330.33
-0.9
6
8
139.84
6
Ventiloquinone E
332.30
1.9
0
6
71.06
3
Vitrofolal F
340.30
3.7
3
6
96.22
4
Tephcalostan
362.30
4.6
0
6
71.04
1
2-[(1'R,4S,4aR,5'R,7R,8aS)-8',8'-dimethyl-1,3'-dioxospiro[4a,5,6,7,8,8a-hexahydro-3H-isochromene-4,2'-6-oxabicyclo[3.2.1]octane]-7-yl]prop-2-enoic acid
362.40
2
1
6
89.9
2
Pteridic acid A
364.50
3.8
2
5
75.99
5
Scillaridin A
366.50
4.3
1
3
50.44
1
(6S,7S,8R)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-ol
368.40
3.2
1
5
57.15
3
(3R,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
372.40
2
2
7
94.45
4
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
374.50
5.1
0
5
53.99
7
[(1aR,2'S,3aS,4S,5S,5'R,6R,7aR,7bS)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate
390.50
2.6
1
6
81.43
3
(10R,11R)-10,11,16,16-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,13,17-pentaene-4,12-dione
402.40
4.5
0
5
65.74
1
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