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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
Khayanolide D
502.60
0.5
3
9
135.66
4
(2S)-1-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-2-methylbutan-1-one
504.50
-1.1
8
13
215.83
9
Tanariflavanone A
508.60
6.2
4
7
116.45
6
CID 11730919
510.50
0.8
1
9
125.43
0
1,2-Dimethylpropylamine
87.16
1
1
1
26.02
1
CID 11731186
534.70
5.2
3
5
99.77
8
(2R,3R,4S,5S,6R)-2-[(3R,5R)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
538.60
1.6
7
11
178.53
13
Fisetinidol-(4alpha,8)-catechin
562.50
2.7
9
11
200.53
3
CryptoMeridiol 11-rhaMnoside
386.50
1.9
4
6
99.38
3
2,3-Dihydroxypropyl octadeca-9,12-dienoate
354.50
5.8
2
4
66.76
18
3-Methyl-2-butanol
88.15
1.3
1
1
20.23
1
8-C-Glucosyl-(R)-aloesol
396.40
-0.9
6
9
160.82
4
(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-2-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
400.40
3.1
1
8
96.59
4
(1''S,2''S)-5,5'-Diallyl-2''-isopropyl-5''-methyl-1'',2'',3'',4''-tetrahydro-[1,1':3',1''-terphenyl]-2,2'-diol
402.60
7.9
2
2
40.46
7
[(1S,2S,3R,6S)-2-acetyloxy-3-benzoyloxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
408.40
3.1
0
7
91.43
9
4-Methyltridecane
198.39
7.5
0
0
0
10
3-(2-Hydroxy-3,4-dimethoxyphenyl)propanoic acid
226.23
1.3
2
5
75.99
5
isoplagiochin D
424.50
6.3
4
4
80.92
0
(1S,2R,5S,6S,7R,8S,11R)-7-hydroxy-6-methyl-11-propan-2-yl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
430.50
0.2
5
9
145.91
5
(1S,2R,5S,7S,9R,10R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-5,10-diol
430.70
7.1
2
3
52.99
5
(2R,4S,4aR,6aS,6aS,14aS,14bS)-4,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,8,13,14,14b-octahydropicene-3,6-dione
452.60
4.6
3
5
94.83
0
Paracentrone
462.70
6.7
2
3
57.53
8
(3R,6R)-3-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-prop-1-en-2-yloxan-2-one
468.70
5.9
1
4
63.6
2
Grayanoside A
476.50
1.3
5
10
155.14
10
Isobornyl benzoate
258.35
5
0
2
26.3
3
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