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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
2-Amino-1-phenylethanol
137.18
0.1
2
2
46.25
2
(-)-Cornigerine
383.40
0.7
1
6
83.09
3
Dauricumidine
383.80
-0.8
2
7
94.09
3
1,2,4-Trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)cyclobutyl]benzene
388.50
4.4
0
6
55.38
8
Dihydrocondylocarpine
324.40
3.1
1
4
41.57
3
N-Benzoyl-L-phenylalaninol
255.31
2.5
2
2
49.33
5
6,7-dimethoxy-4-(6-methoxy-1,3-benzodioxol-5-yl)-3H-benzo[f][2]benzofuran-1-one
394.40
4
0
7
72.45
4
1,3,5,6-Tetrahydroxy-4-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)xanthen-9-one
396.40
5.8
4
6
111.13
5
Interruptin B
398.40
5.1
2
5
87.74
4
Graminone B
402.40
2
2
8
103.68
5
methyl 3-[(1R,6R,10R,13R,14S,17S)-16-formyl-10-(hydroxymethyl)-14-methyl-9-oxo-16-azatetracyclo[8.7.0.02,6.013,17]heptadec-2-en-1-yl]propanoate
403.50
1.9
1
5
83.91
5
Lupalbigenin
406.50
6.5
3
5
90.9
5
Manglexanthone
408.40
5.6
2
6
89.13
3
Bidwillon A
408.50
5.9
3
5
86.99
5
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-propan-2-yl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohepta-2,4,6-trien-1-one
410.50
0.2
5
8
136.68
6
Kanzonol Y
410.50
6.3
4
5
97.99
8
(3R,3aR,5aR,7aS,11bS,13aS)-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene
410.70
10.6
0
0
0
1
Methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
466.50
2.2
0
7
92.04
4
(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,N,7,7,12,16-hexamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-6-amine
412.70
6.9
0
2
6.48
3
2-[2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1079.30
0.9
14
22
357.06
16
2,9,10-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-1-ol
341.40
2.6
1
5
51.16
3
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
418.40
1.5
5
9
145.91
7
Diosbulbin D
344.40
1.4
0
6
82.81
1
(2S,3aR,4S,4'S,5'R,6S,7aR)-4'-benzoyloxy-3a,4-dihydroxy-5'-methyl-3-oxospiro[5,6,7,7a-tetrahydro-4H-1-benzofuran-2,2'-oxane]-6-carboxylic acid
420.40
0.7
3
9
139.59
4
(9-Acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-(hydroxymethyl)but-2-enoate
420.50
0.6
2
8
119.36
7
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