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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,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
220.35
3.8
0
1
12.53
0
(2Z,4E)-3-Methyl-5-[(1S)-1alpha-hydroxy-2,6-dimethyl-2alpha,6alpha-(epoxymethano)-4beta-hydroxycyclohexane-1-yl]-2,4-pentadienoic acid
282.33
0.9
3
5
86.99
3
Astragalin Heptaacetate
742.60
2.2
0
18
232.77
18
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
610.60
-1.1
8
15
234.29
7
(2S)-7-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
580.50
-0.5
8
14
225.06
6
5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
464.40
0.5
8
12
210.51
3
Cmti-III
3274.90
-13.2
51
55
1558.91
111
Dammaran-3,6,12,20,25-pentol-6-O-rhamnopyranosyl-(1-2)-O-glucopyranoside
803.00
1.9
10
14
239.22
10
(S)-Hesperetin 3',7-Diglucuronide
654.50
-0.8
9
18
288.66
8
Papaveroxine
415.40
1.9
1
8
86.69
6
Kutkosid
512.50
-1.4
6
13
197.13
8
6-Deoxycatalpol
346.33
-2.2
5
9
141.37
4
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
785.00
4
9
13
218.99
10
Northalibroline
582.70
5.4
4
8
103.65
8
Ovothiol C
229.30
-1.8
2
5
97.16
4
(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
236.26
-1
1
6
66.38
5
(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
164.16
-2.1
4
5
90.15
1
Apigenin-7-o-glucuronide
446.40
0.2
6
11
187.12
4
Chikusetsusaponin I
785.00
3.2
9
13
218.99
9
20(S)-Ginsenoside Rg2
785.00
3.2
9
13
218.99
9
Ginsenoside-Rb3
1079.30
0.3
14
22
357.06
15
Barbourgenin
432.60
5.3
2
4
58.92
1
7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
248.36
1.2
0
3
23.55
0
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
248.36
1.2
0
3
23.55
0
3-Isopropyl-1,2-cyclopentanedione
140.18
1
0
2
34.14
1
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