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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
(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
220.35
3.6
1
1
20.23
1
CID 101326885
488.60
2.3
4
7
124.29
4
[(1R,3S,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl] formate
180.24
2.4
0
2
26.3
2
(2Z,4E)-3-methyl-5-[(1R,2S,3S,5S,8R)-2,3,8-trihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
312.31
-0.4
4
7
124.29
3
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
834.80
3.3
13
16
290.68
5
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3S,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
834.80
3.3
13
16
290.68
5
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
834.80
3.3
13
16
290.68
5
(1R,3R,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
600.90
10.9
2
4
58.92
2
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
448.40
0.8
6
11
179.28
4
methyl 2-[(1S,2R,6R,7R,10R,11S,12S,14R,15S,16S)-14-acetyloxy-6-(furan-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-12-yl]acetate
530.60
2.9
1
9
121.5
6
methyl 2-[(1S,2R,5R,6R,10R,11S,13S,14R,16S)-14-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]acetate
530.60
2.5
1
9
129.34
6
[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.9
0
2
26.3
2
Liquidambaric lactone
468.70
6.1
0
4
55.9
0
3-[(1R,2S)-1,2-dihydroxybutyl]isochromen-1-one
234.25
1.3
2
4
70.67
3
(1R,10R,12S)-3,12-dihydroxy-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-trien-8-one
360.40
3.1
2
5
75.99
2
(1R,3S,5R,7R,10S,14S,16R,19R,21S,22R,23S,26S,27R,30R)-5,26-dihydroxy-8,8,19,21,26-pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.11,19.03,5.03,16.07,14.010,14.023,27.022,30]triacontane-2,12,20,25-tetrone
574.60
-0.7
2
12
167.42
0
3-O-(E)-Feruloylquinic acid
368.30
-0.1
5
9
153.75
6
(3R)-8-hydroxy-3-(hydroxymethyl)-3-methyl-2H-naphthalene-1,4-dione
220.22
1.6
2
4
74.6
1
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1035.20
-1.1
13
22
346.06
15
Norneolitsine
309.30
2.6
1
5
48.95
0
TG(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
851.30
19.5
0
6
78.9
48
1-Palmitoyl-2-a-linolenoyl-3-linoleoyl-glycerol
853.30
20.2
0
6
78.9
49
1-Palmitoyl-2-a-linolenoyl-3-oleoyl-glycerol
855.40
20.9
0
6
78.9
50
Jasminoside
550.50
-0.6
5
13
198.51
12
Isobutyl laurate
256.42
6.6
0
2
26.3
13
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