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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
Muricatocin B
612.90
7.4
5
8
136.68
26
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
220.35
3.6
1
1
20.23
0
8-Hydroxy-2-(2-phenylethyl)-chromone
266.29
3.4
1
3
50.44
3
(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
161.24
2.8
0
1
12.89
0
Methyl 2-propenyl selenide
135.08
0
0
0
2
methyl (1S,2S,5R,8R,9R,10S,11R,12R)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
362.40
0.6
2
6
93.06
2
(1S,2S,7R,8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
204.35
4.6
0
0
0
0
Lormetazepam
335.20
2.4
1
3
52.9
1
Yakuchinone-A
312.40
3.6
1
3
46.53
9
Gusanlung B
353.40
2.7
0
5
57.23
2
[(2R,3R,4S)-4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
388.50
2.7
2
6
77.38
7
(R)-3-Methyl-1-hexanol
116.20
2.3
1
1
20.23
4
(1S,2R,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalene
416.50
3.8
0
6
55.38
9
3a,4,5,6-Tetrahydro-2-benzofuran-1,3-dione
152.15
1.1
0
3
43.37
0
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
454.70
9.4
0
2
26.3
7
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
454.70
9.4
0
2
26.3
7
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
913.10
2.4
10
17
274.75
8
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
797.00
3.5
9
14
236.06
7
Soyasaponin III
797.00
3.5
9
14
236.06
7
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
400.70
8.2
1
1
20.23
5
(3S,9R,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
398.70
8.2
1
1
20.23
5
4-[(3S)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
438.60
6.8
2
5
68.15
7
Bracteoline
327.40
2.2
2
5
62.16
2
Isoboldine
327.40
2.2
2
5
62.16
2
2-Vinyl-4H-1,3-dithiine
144.30
2.3
0
2
50.6
1
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