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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-Hydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
330.30
2.6
2
6
85.22
4
8-Butanoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-phenylchromen-2-one
392.40
5.4
2
5
87.74
6
Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate
246.30
3.6
0
3
43.37
7
Fuegin
266.33
2
2
4
66.76
0
N-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
284.35
3.7
2
3
50.36
6
(4S,5R,8S,13S,16S,19R,22R)-8-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
360.40
2
1
5
64.99
0
Leucadenone A
540.60
5.5
2
7
110.13
2
Leucadenone B
540.60
5.5
2
7
110.13
2
Leucadenone C
540.60
5.5
2
7
110.13
2
Leucadenone D
540.60
5.5
2
7
110.13
2
Benzoic acid, 3-(formylamino)-2-hydroxy-
181.15
0.7
3
4
86.63
2
2-[4-(2-bromo-1,2-diphenylethenyl)phenoxy]-N,N-dimethylethanamine
422.40
6.6
0
2
12.47
7
Pseudowiddrene
204.35
4.3
0
0
0
0
1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
270.28
3.5
2
4
66.76
4
Isosaponarin
594.50
-1.6
10
15
260.2
6
Isoxanthohumol(Helichrysum)
338.40
5.4
2
4
66.76
6
(1R,5R,8R)-8-[(8S,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
452.60
3.9
1
5
72.83
1
(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-7,8,9,11,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthrene-1,12-dione
450.60
3.6
0
5
69.67
1
(5S)-4-methoxy-3-methyl-5-octyl-2,5,6,7-tetrahydroisoquinoline-1,8-dione
319.40
4.3
1
3
59.16
8
2,3-Dihydrowithaferin A
472.60
3.8
2
6
96.36
3
(2R)-2-[(1R)-1-[(4S,8R,9S,10R,13R,14R,17S)-4,14-dihydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
486.60
1.7
4
7
124.29
3
parthenocissin A
454.50
4.9
6
6
121.38
3
(3Z)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyfuran-2-one
348.40
2.7
3
5
86.99
3
Methyl tert-butyl ether
88.15
0.9
0
1
9.23
1
Glochidiolide
304.29
-0.4
2
6
93.06
1
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