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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
Gypsogenic acid
486.70
6.7
3
5
94.83
2
Selin-11-en-4alpha-ol
222.37
4.5
1
1
20.23
1
Intermedeol
222.37
4.5
1
1
20.23
1
(1R,4aS,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
222.37
4.5
1
1
20.23
1
(1R,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
222.37
4.5
1
1
20.23
1
(3S,4aR,6aR,6aR,6bR,8aR,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
426.70
9.1
1
1
20.23
0
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
331.50
4.8
2
2
32.26
2
Irehdiamine B
330.50
4.5
2
2
38.05
2
(1R,2R,3S,1'R)-Nepetalinic acid
200.23
1.7
2
4
74.6
3
(10S)-3,4,5,16-Tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-17-ol
385.50
3.4
1
6
60.39
4
Kulactone
452.70
6.9
0
3
43.37
3
Melannein
314.29
2.3
2
6
89.13
3
3,7,8,3',4'-Pentahydroxyflavone
302.23
1.6
5
7
131.36
1
Melianodiol
488.70
4.7
3
5
86.99
3
2-[[5-hydroxy-7-(hydroxymethyl)-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
524.50
-5.7
10
15
248.45
7
2H-1,3-Oxazine
83.09
-0.3
0
2
21.59
0
8,9-dihydroxy-3,5a,9-trimethyl-5,6,7,8,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one
266.33
1
2
4
66.76
0
(12R,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
281.30
1.7
2
4
50.72
0
Apateline
548.60
5.5
2
7
72.42
1
Mikanin
344.30
3.1
2
7
98.36
4
Miliacin
440.70
9.9
0
1
9.23
1
Millettosin
394.40
2.9
1
7
83.45
0
(1R,14R)-14-hydroxy-7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-3(12),4(9),5,10,15,17(21),22-heptaen-13-one
394.40
2.9
1
7
83.45
0
Milliamine
791.90
5
5
11
191.8
11
Speciociliatine
398.50
3.4
1
5
63.79
6
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