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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
orthosiphol T
634.70
4.7
3
10
156.66
9
(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-19-(hydroxymethyl)-22-(2-hydroxypropan-2-yl)-3,8,8,17-tetramethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
652.80
1.1
7
11
178.53
4
[(1S,2S,5R,7S,10R,12R,14R,15R,16R,17S,18R,21R,22R,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate
678.80
2.9
5
11
164.37
4
Allethrolone
152.19
0.4
1
2
37.3
2
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',16-dihydroxy-9,13-dimethyl-5'-methylidene-4'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
1265.30
-5.1
14
30
446.58
17
Carveol, (-)-
152.23
2.1
1
1
20.23
1
2-Epilentiginosine
157.21
-0.3
2
3
43.7
0
(3aR,6S,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a,6-diol
158.19
-0.3
2
3
49.69
0
Albene
162.27
4.1
0
0
0
0
Ningpogenin
170.21
-1
2
3
49.69
2
(2S)-2-amino-2-[(1S,2R)-2-(carboxymethyl)cyclopropyl]acetic acid
173.17
-3.2
3
5
100.62
4
(1R,2S,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
173.21
-1.3
3
4
63.93
0
(4S,4aS,8aS)-4,8a-dimethyl-1,2,3,4,5,8-hexahydronaphthalen-4a-ol
180.29
3.1
1
1
20.23
0
3-Methyltridecane
198.39
7.5
0
0
0
10
Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-
202.33
5.5
0
0
0
1
(1R,6S,7S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
204.35
4.9
0
0
0
0
(4S)-6-hydroxy-7-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-one
206.24
1.7
2
3
57.53
1
(3R,5S,6S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
218.33
4
0
1
17.07
1
alpha-Santalol
220.35
4
1
1
20.23
4
(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,11-dione
223.27
0.8
0
3
46.61
0
5-(2-Hydroxy-5-methylphenyl)-6-methyl-2-heptanone
234.33
3.3
1
2
37.3
5
1-[(2R,4S,5R)-4-deuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
243.23
-1.2
3
5
104.55
2
2'-Aminoacetophenone
135.16
1.6
1
2
43.09
1
(5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
250.33
2.8
1
3
46.53
0
(3S)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
259.30
2.5
1
4
51.58
1
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