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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
5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16-triol
448.60
4.5
3
5
79.15
0
(1'R)-Nepetalic acid
184.23
1.7
1
3
54.37
3
3-[(3S,5R,8R,9S,10S,13S)-15-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
534.60
1.7
5
9
145.91
4
2-(5a,5b,8,8,11a,13b-Hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl)propan-1-ol
428.70
10.2
1
1
20.23
2
(2R)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-1-ol
428.70
10.2
1
1
20.23
2
L-Nicotianine
224.21
-2.1
2
5
107.33
4
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
594.50
-0.9
9
15
249.2
6
Nigakilactone B
392.50
2.5
1
6
82.06
2
Eucalyptosin A
457.40
-2.2
7
12
202.32
7
picrasin B
376.40
1.6
1
6
89.9
1
Nigakilactone K
406.50
0.9
2
7
102.29
2
(2R,3R)-3-hydroxy-2-methylbutanoic acid
118.13
0
2
3
57.53
2
Nimbolide
466.50
2.2
0
7
92.04
4
(1R,2S,5S,6R,8R,11S)-5-[(dimethylamino)methyl]-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione
293.40
2.7
0
4
46.61
3
CID 12313416
514.60
2.6
0
9
121.64
3
(2S,3S,4S,5R,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
534.60
0
4
11
145.53
8
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-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]oxy-6-methyloxane-3,4,5-triol
785.00
3.2
9
13
218.99
9
[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
802.70
1
11
20
325.19
12
endo-Norborneol
112.17
1.3
1
1
20.23
0
(3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1063.20
-0.7
12
22
335.06
15
(3aR,3bS,6S,6aR,6bS)-6-Isopropyl-3b-methyloctahydrocyclobuta[1,2:3,4]di[5]annulen-1(2H)-one
206.32
3.5
0
1
17.07
1
5,7,18,20-Tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
339.30
1.7
2
6
69.18
0
3-Hydroxy-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one
252.35
2.4
2
3
57.53
1
Nardosinonediol
252.35
2.4
2
3
57.53
1
(11S,12Z,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde
292.40
2
1
3
32.34
1
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