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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
Chikusetsusaponin VI
1241.40
-1.8
17
27
436.21
18
Isomurrayazoline
331.40
5.2
0
1
14.16
0
2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone
353.40
3.5
2
6
80.92
1
Dehydrocarpaine I
476.70
6
1
6
76.99
0
Dehydrocarpaine II
474.70
5.7
0
6
77.32
0
Muricinine
313.30
2.3
3
5
70.95
2
2-Feruloyl-1-sinapoylgentiobiose
724.70
-0.2
8
18
269.82
15
[4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
754.70
-0.2
8
19
279.05
16
2-Feruloyl-1,2'-disinapoylgentiobiose
930.90
2
8
22
314.58
21
Manglupenone
436.70
7.6
1
2
37.3
2
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan
338.74
1.9
3
5
108.49
7
N-(Carbethoxyacetyl)-4-chloro-L-tryptophan
352.77
2.3
3
5
108.49
8
Loquatifolin A
822.90
-0.8
10
18
276.14
16
Annonsilin A
622.90
9.7
3
7
105.45
25
N-[4-(diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
580.70
0.1
7
7
225.69
15
Hordatine B glucoside
742.80
-1.7
10
12
304.84
18
N-[4-(Diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
566.70
-0.2
8
7
236.69
14
3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1189.30
1
14
25
400.43
15
Camelliasaponin A2
1189.30
1
14
25
400.43
15
(+)-Notoginsenoside A
1125.30
-1.4
16
24
397.52
16
Notoginsenoside E
979.20
0.8
13
20
327.6
14
Cryptoxanthin 5,6:5',8'-diepoxide
584.90
10.5
1
3
41.99
9
3',4,4'-Trihydroxypulvinone
312.27
2.3
4
6
107.22
2
Neoconvallatoxoloside
714.80
-2.2
9
15
245.29
7
2-[4-[3-b-D-Glucopyranosyl-2,4,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]phenoxy]phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI
704.60
2.7
10
15
264.13
8
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