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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
5-[(E)-6-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-ol
426.70
8.5
1
1
20.23
6
4,6,6-trimethyl-5-[(3Z,7E,11Z)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-ol
426.70
9.7
1
1
20.23
12
(E)-11-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-4,8-dimethyl-5-propan-2-ylideneundec-8-en-1-ol
428.70
9.4
1
1
20.23
10
Lyciumoside VIII
646.80
0.9
9
13
218.99
17
24-Ethyl-5alpha-cholest-7-en-3beta-ol
414.70
9.1
1
1
20.23
6
(3beta,16alpha)-7-Baurene-3,16-diol
442.70
7.5
2
2
40.46
0
(2E,4E,6E,8Z,10E,12E,14E,16Z,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-19-(2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
600.90
10
2
4
66.76
11
Solanolone
278.30
0.4
4
5
97.99
0
1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone
330.29
3.2
3
7
113.29
2
8-Acetoxy-4'-methoxypinoresinol
430.40
2.1
1
8
92.68
7
8-Hydroxy-4'-methoxypinoresinol
388.40
1.6
2
7
86.61
5
(Z)-3-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
328.30
1.7
3
6
96.22
4
Licarin C
370.40
4.7
0
5
46.15
6
Howiicin A
596.90
7.9
4
7
116.45
26
16-[5-[3-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
1227.30
-4.3
16
29
451.51
14
6-[[9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1231.30
-0.4
13
27
423.57
17
(+)-Theasaponin E2
1231.30
-0.9
13
27
423.57
17
4,12,14-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
364.40
-0.6
4
7
124.29
1
Cannogenol 3-[glucosyl-(1->4)-2,6-dideoxy-xylohexoside]
682.80
-0.3
7
13
204.83
7
2-(3-(2-((1H-Imidazol-2-yl)methyl)-6-methoxyphenoxy)benzyl)-1H-imidazole
360.40
3.6
2
4
75.82
7
Retrofractamide D
341.40
5.6
1
3
47.56
9
(8E,22E)-4-Hydroxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-3,5,7(29),8,22,24,26,27-octaene-10,21-dione
435.50
3.1
4
5
99.69
0
Flazine methyl ether
322.30
2.6
2
5
88.35
4
4-Coumaroylputrescine
234.29
1
3
3
75.35
6
Caffeoylferuloylspermidine
483.60
2.6
6
7
140.15
14
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