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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
Oxofangchirine
618.70
6.8
0
9
88.58
4
2-[(E)-4-thiophen-2-ylbut-1-en-3-ynyl]furan
200.26
3.4
0
2
41.38
2
gamma-Decalactone
170.25
2.7
0
2
26.3
5
Methyl helicterilate
632.90
9.2
0
6
78.9
8
Helicterilic acid
618.80
8.9
1
6
89.9
7
Deoxyartemisinin
266.33
2.7
0
4
44.76
0
Gomisin M1, (+/-)-
386.40
4.8
1
6
66.38
3
Methyl 3-hydroxy-2-methylbutanoate
132.16
0.4
1
3
46.53
3
1a,4a,7,7-Tetramethyl-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulene-2,5-diol
238.37
2.7
2
2
40.46
0
[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
290.27
-1.9
4
8
129.84
5
1-(2,3-Dihydroxy-4-methoxyphenyl)ethanone
182.17
1.5
2
4
66.76
2
methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
330.50
6.4
0
2
26.3
5
CID 12821233
848.80
0.8
12
19
330.89
9
Didrovaltrate acetoxy hydrin
484.50
1.8
1
10
134.66
14
Uralsaponin A
822.90
3.7
8
16
267.04
7
2,2,5-Trimethyl-2h,8h-benzo[1,2-b:5,4-b']dipyran-8-one
242.27
3.2
0
3
39.44
0
6-[(3-Butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
474.50
4.6
4
8
141.36
9
Criasbetaine
281.30
3.8
0
3
45.4
2
Methyl cis-10-Octadecenoate
296.50
7.6
0
2
26.3
16
2-(Hydroxymethyl)-6-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
785.00
4
9
13
218.99
10
CID 128327
674.80
2.6
4
11
156.67
4
Julifloricine
630.00
10.4
4
5
67.76
22
Coniferyl acetate
222.24
2
1
4
55.76
5
1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl acetate
458.50
4.6
0
8
81.68
6
p-Menth-3-enol
154.25
2.8
1
1
20.23
1
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