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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
2-Methylthiophene
98.17
2.3
0
1
28.24
0
[(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',4',16-trihydroxy-9,13-dimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
1103.20
-3.5
11
25
367.43
14
[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,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]icosa-6,18-dien-16-yl]oxy]oxan-2-yl]methyl acetate
1235.40
-2.1
14
27
411.05
19
(3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one
132.11
-1.2
2
4
66.76
0
Lindelofidine
141.21
0.5
1
2
23.47
1
(1S,2R,3R,5R)-8-azabicyclo[3.2.1]octane-2,3-diol
143.18
-0.7
3
3
52.49
0
(2E,4E)-3,7-dimethyl-2,4,6-octatrienal
150.22
3.1
0
1
17.07
3
(1S,2S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
154.25
3
1
1
20.23
1
2(5H)-Furanone, 3-methyl-5-(2S)-2-pyrrolidinyl-, (5R)-
167.20
0.8
1
3
38.33
1
(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-ol
170.25
1.6
1
2
32.76
4
(3R)-3-acetamido-4-(trimethylazaniumyl)butanoate
202.25
-0.2
1
3
69.23
4
[(2R)-2-acetamido-3-carboxypropyl]-trimethylazanium
203.26
-0.8
2
3
66.4
5
(1r,4r)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
152.23
2.4
1
1
20.23
1
alpha-Zingiberene
204.35
5.2
0
0
0
4
Vinyl caffeate
206.19
2
2
4
66.76
4
8-Hydroxy-6-methoxy-3-methylisochromen-1-one
206.19
2.5
1
4
59.67
1
(3R)-hydroxy-beta-ionone
208.30
1.6
1
2
37.3
2
2-Methyloctadecanoic acid
298.50
8.8
1
2
37.3
16
Linamarin
247.24
-1.8
4
7
123.17
3
4-Epi-curcumenol
234.33
2.2
1
2
29.46
0
[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
238.37
2.7
2
2
40.46
2
(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene
238.50
2.5
0
4
101.2
7
Neoambrosin
246.30
2.1
0
3
43.37
0
Isoevodionol
248.27
2.7
1
4
55.76
2
hyperlactone A
250.29
2.7
0
4
52.6
3
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