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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
6-[6-Carboxy-2-[(2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
820.90
3.2
7
16
256.04
6
(1R,2R,5S,6R,9S,11S,14S,15R,19S,21R)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-16,22-dione
468.70
5.9
1
4
63.6
0
(3S,4S,5S,9S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.8
1
1
20.23
5
Isoglycycoumarin
368.40
3.8
2
6
89.13
2
Neoisoliquritin
418.40
1.7
6
9
156.91
6
Amoricin
504.60
7.5
2
6
85.22
6
Amoridin
490.60
7.2
3
6
96.22
5
2-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
490.60
7.2
3
6
96.22
5
(E)-N-(2-methylpropyl)oct-2-enamide
197.32
3.8
1
1
29.1
7
Mallotus A
338.40
4.1
3
5
86.99
3
2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
338.40
5.4
2
4
66.76
6
Mallotus B
518.60
6.1
5
8
144.52
6
1,5-Dihydroxy-7-methoxyfluoren-9-one
242.23
2.9
2
4
66.76
1
1,2,5-Trihydroxy-7-methoxyfluoren-9-one
258.23
2.5
3
5
86.99
1
Puerarostan
366.40
4.7
2
6
93.04
3
[5-Hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
788.60
1.5
13
22
377.42
13
3,4,6-tri-O-galloyl-beta-d-glucose
636.50
0.4
11
18
310.66
10
6-[5,6-Dihydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
462.40
0.8
7
12
207.35
4
2H,10H-[1,3]Dioxolo[4,5-B]xanthen-10-one
240.21
3.2
0
4
48.67
0
Dimethoxyxanthone
256.25
2.9
0
4
48.67
2
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
618.80
5.7
5
8
136.68
4
2-[2-[[3,12-Dihydroxy-17-(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-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
771.00
2.7
9
13
218.99
9
N-[6-(2-hydroxy-4,5-dimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide
381.40
3.6
1
6
77.46
4
1,8-Dihydroxy-2-(hydroxymethyl)-5-methoxyanthracene-9,10-dione
300.26
1.8
3
6
104.06
2
(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
604.80
5.8
5
8
136.68
7
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