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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
Bullacin B
622.90
9.3
3
7
105.45
25
Annocherimolin
622.90
8.9
4
7
116.45
27
CID 10258386
624.60
-0.5
9
15
245.29
11
(3S,4S)-4-(hydroxymethyl)-3-methyl-3,4,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-8-one
198.22
-0.5
1
4
55.76
1
(E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
404.40
3.7
1
8
92.68
9
(1S,4R,6S,7R,8S,11R,13S)-6,7,13-trimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,12-dioxatetracyclo[6.4.1.01,11.04,13]tridecan-2-one
346.40
3.3
0
5
65.13
3
Orthosiphol N
632.70
4.4
2
10
153.5
9
orthosiphonone D
632.70
4.4
2
10
153.5
9
(2R,3aR,6E,6aS)-2-heptadecyl-3a-methyl-6-octadecylidene-6aH-furo[2,3-d][1,3]dioxol-5-one
633.00
17.9
0
4
44.76
32
Cryptophycin 46
639.20
7.1
2
7
120.03
8
(1S,4S,5S,8S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
236.35
2.9
0
2
34.14
1
1-Hydroxyacoronene
250.33
1.9
1
3
54.37
1
Acorusnol
236.35
2.7
1
2
37.3
1
(1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
426.40
-3.4
6
10
173.98
0
(1R,2S,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,7,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
410.40
-2.8
5
9
153.75
0
(1R,4S,5R,8S,9R,10R,11S,12S,13S,16S)-9,12-dihydroxy-4,11,15-trimethyl-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,18-dione
526.50
-3.3
6
12
192.44
3
(1S,2R,5S,6S,7S,8R)-1,5-dimethyl-8-prop-1-en-2-yltricyclo[5.3.0.02,6]decane
204.35
5.5
0
0
0
1
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,16S,19S,21R)-21-acetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
602.70
1.7
3
11
165.26
6
methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(E)-3-phenylprop-2-enoyl]oxy-12-propan-2-yl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
780.90
2.9
2
14
174.74
10
methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-25-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(E)-2-methylbut-2-enoyl]oxy-12-propan-2-yl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
732.80
2
2
14
174.74
9
(1R,5R,7R,8S)-7-(3,4-dimethoxyphenyl)-8-hydroxy-3-methoxy-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one
344.40
2.9
1
5
64.99
6
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1051.20
-1.3
13
23
355.29
11
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1049.20
-2.2
13
23
355.29
11
2-methoxy-4-[(E)-2-[(2S)-pyrrolidin-2-yl]ethenyl]phenol
219.28
2.2
2
3
41.49
3
5-Hydroxy-3-(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)oxy-2-methylnaphthalene-1,4-dione
390.30
4.1
2
7
117.97
2
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