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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
Melochinine
323.50
5
2
4
62.32
12
(E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
343.40
2.1
3
5
88.02
7
5-Methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
216.24
1.7
2
2
54.12
1
3-Hydroxy-2-methoxybenzoic acid
168.15
1
2
4
66.76
2
3-[3,4-Dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
296.30
3.7
2
4
66.76
6
4-[Hydroxy(methoxy)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
199.20
-0.3
3
5
82.81
3
(S)-2,3-Dihydro-2-(hydroxymethyl)-6-(2-methoxyethyl)-2,5,7-trimethyl-1H-inden-1-one
262.34
2.8
1
3
46.53
4
cis-p-Menth-2-enol
154.25
3.1
1
1
20.23
1
L-2,4-diaminobutyric acid
118.13
-4.6
3
4
89.34
3
Dotriacontan-14-ol
466.90
15.7
1
1
20.23
29
Terbutryn
241.36
3.7
2
6
88.03
5
alpha-Ergocryptine
575.70
2.7
3
6
118.21
5
Lysergic acid alpha-hydroxyethylamide
311.40
1.9
3
3
68.36
2
[(1S,6S,7S,7aS)-6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
458.90
2
1
8
108.36
12
1,3-Bis(4-hydroxyphenyl)prop-2-en-1-one
240.25
2.4
2
3
57.53
3
7-Angeloylretronecine
237.29
0.5
1
4
49.77
4
Deoxoglycyrrhizin
808.90
4.8
8
15
249.97
7
Licoricesaponin B2
808.90
4.8
8
15
249.97
7
1,4-Dihydro-2H,5H-pyrano(3,4-c)(1)benzopyran-5-one
202.21
1.2
0
3
39.44
0
Dihydrolupeol
428.70
9.9
1
1
20.23
1
(1S,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
428.70
9.9
1
1
20.23
1
3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
320.40
4
3
5
86.99
0
Trigonelline hydrochloride
173.60
1
3
41.18
1
(3S,8S,9R,10S,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
428.70
8.3
1
2
37.3
6
(10S,11R,12R,13S,15S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
694.50
2.4
10
17
290.43
4
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