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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
Pteleine
229.23
2.9
0
4
44.49
2
Neferine
624.80
6.7
1
8
72.86
10
Laminine
188.27
-1.6
1
3
66.15
5
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-4,20,21-triacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-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
702.70
1.9
2
14
197.63
10
Hirudonine
229.33
-2.2
5
3
140.83
9
2-Oxohexanoic acid
130.14
1
1
3
54.37
4
25-Anhydrocimigenol 3-o-beta-D-xyloside
602.80
5
4
8
117.84
3
(1R,2R,7R,10R,11S,14R,15S,16R)-7-hydroxy-16-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
470.60
2.6
2
6
93.06
2
(1R,2R,4R,5R,10R,11S,14R,15R,16S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,5,15-trihydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-7-en-9-one
486.60
1.7
3
7
113.29
1
(10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol
358.40
3.5
2
5
68.15
2
(1S,2R,5S,8S,9S,10S,11S)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
330.40
3.3
1
4
63.6
1
(1R,2R,7R,10R,11S,14R,15S,16R)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
616.70
1.7
4
10
151.98
4
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate
389.40
-1.9
6
12
220.02
8
methyl 2-[(14R,15S,19S)-14-[(10S,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoate
950.70
1.4
16
26
455.18
4
[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
524.50
-1.3
7
13
208.13
8
Qui(b1-3)[coumaroyl(-6)]Glc(b)-O-EtPh(4-OH)
592.60
0.2
7
13
204.83
11
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13R,14R,17R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4,6-bis(hydroxymethyl)oxane-3,5-diol
785.00
4.4
9
13
218.99
11
(-)-alpha-Neoclovene
204.35
4.9
0
0
0
0
rel-(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-5-benzofuranethanol
330.40
2.9
2
5
68.15
5
Pranferol
288.29
3
1
5
72.81
4
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
286.28
-0.8
5
7
119.61
4
(1R,9R,10S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-12-one
329.40
2.3
1
5
59
2
2-Amino-3-(2-oxoindolin-3-yl)propanoic acid
220.22
-2.4
3
4
92.42
3
(1S,2R,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
238.37
3.4
2
2
40.46
4
(1S,11R,18R)-4,5,15,16,18-pentamethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaene
415.50
2.6
0
7
58.62
5
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