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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
(18alpha,19alpha)-5alpha-Urs-20(30)-en-3-one
424.70
8.8
0
1
17.07
0
(4aS,8R,8aR)-8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-2-carbaldehyde
202.29
2.8
0
1
17.07
2
6-alpha-Acetoxygedunin
540.60
3.8
0
9
121.64
5
Styrene, 2,5-dimethoxy-alpha,4-dimethyl-
192.25
3.6
0
2
18.46
3
2-Hexenoic acid
114.14
1.6
1
2
37.3
3
Fercomin
386.50
3.4
1
5
72.83
5
Phytyl stearate
563.00
17.2
0
2
26.3
31
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] tetradecanoate
637.10
16.7
0
2
26.3
15
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] pentadecanoate
651.10
17.2
0
2
26.3
16
Sambuculin a
665.10
17.8
0
2
26.3
17
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] heptadecanoate
679.20
18.3
0
2
26.3
18
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] octadecanoate
693.20
18.9
0
2
26.3
19
1-Deoxycapsidiol
220.35
3.9
1
1
20.23
1
Sventenic acid
318.40
3.9
2
3
57.53
1
(2R)-3-[2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
318.40
4.5
1
3
46.53
3
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,14-diol
442.70
7.9
2
2
40.46
0
(1R,9S,10R,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
260.37
1.2
2
2
41.13
0
(1R,9S,10R,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
258.36
1.5
2
2
44.89
0
(2S)-1-[(1R,9S,10R,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-yl]propan-2-ol
300.40
2.7
2
3
45.15
2
(1S,6S,8S,9E)-8-hydroxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one
275.40
1
1
3
40.54
0
(1S,6S,8R,9E)-8-hydroxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one
275.40
1
1
3
40.54
0
[(1S,6S,8S,9E)-4,13-dimethyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-8-yl] acetate
317.40
1.6
0
4
46.61
2
(1S,8S,14R,17R)-5,12-dimethyl-5,9-diazatetracyclo[8.7.0.01,14.08,17]heptadeca-9,12-dien-16-one
272.40
0.4
0
3
32.67
0
(1S,6S,9E)-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-diene-2,8-dione
273.37
1.4
0
3
37.38
0
(13aS)-2,3,4,9,10-pentamethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
385.50
3.2
0
6
49.39
5
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