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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
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2S,3S,4S,6S)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
560.60
0.1
4
10
163.73
4
(2S,3S,4S,5R,6R)-6-[[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl]oxy]-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
971.10
1.9
10
20
313.58
9
Ferrugieudesmol
506.80
9.7
2
2
40.46
3
5,8-Dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
290.30
2.4
2
5
79.9
2
5-(3-Carboxypropylamino)-2-hydroxy-3-tridecyl-1,4-benzoquinone
407.50
6
3
6
103.7
17
(4aS,11aR)-4,4,11a-trimethyl-2,3,4a,5,6,8,9,11-octahydro-1H-benzo[9]annulene-7,10-dione
250.38
3.2
0
2
34.14
0
(3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
300.40
5.6
0
2
26.3
2
Coronadiene
262.40
4.8
1
2
37.3
2
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(hydroxymethyl)but-2-enal
290.40
4.2
1
2
37.3
4
4-[(3S,5R)-3,5-dihydroxy-7-(4-hydroxy-3-methoxyphenyl)heptyl]benzene-1,2-diol
362.40
2.9
5
6
110.38
9
Crassolide A
392.50
2.1
2
6
93.06
2
Crassocolide C
376.50
3.2
1
5
72.83
2
(1S,3R,5R,8E,12E,15R)-3,8,12-trimethyl-16-methylidene-4,18-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
316.40
3.6
0
3
38.83
0
Crassocolide B
434.50
2.7
1
7
99.13
4
Crassocolide D
334.40
2.6
2
4
66.76
0
Crassocolide F
374.50
3.1
0
5
65.13
2
Acanthopanaxoside A
1247.40
-1.9
14
27
418.89
16
2,6-Diisopropyl-3-methylphenol
192.30
4.2
1
1
20.23
2
(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
778.90
3.1
8
14
232.9
7
Viridiflorol
222.37
3.7
1
1
20.23
0
3,4,9-Trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one
346.40
3.4
3
5
86.99
1
7-Hydroxy-2,3,4-trimethoxyphenanthrene
284.31
4
1
4
47.92
3
(4-Methoxybenzo[d][1,3]dioxol-5-yl)(phenyl)methanone
256.25
3
0
4
44.76
3
7,4'-di-O-galloyltricetiflavan
594.50
3.4
9
14
243.9
7
1,2,3,5-Tetrahydroxybenzene
142.11
0.8
4
4
80.92
0
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