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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
Annosquamosin D
350.50
3.3
2
4
66.76
3
Urea
60.06
-1.4
2
1
69.11
0
1-[(6aS,11aS)-3,6a-dihydroxy-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-10-yl]-3-methylbutan-2-one
370.40
2.2
2
6
85.22
4
Tricosanoic acid, 23-hydroxy-
370.60
8
2
3
57.53
22
[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(methoxymethyl)but-2-enoate
376.40
1.7
1
6
82.06
6
Urinatetralin
384.40
3.5
0
6
55.38
5
(2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
390.50
-0.3
6
8
139.84
5
(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.6
1
1
20.23
5
(2E,4E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4-dienamide
413.60
8.3
1
3
47.56
15
Dendronobiloside B
418.50
0.4
6
8
139.84
6
methyl (1R,12S,13S,15R,20R)-12-ethyl-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
428.50
2.1
2
8
92.79
5
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one
468.60
4.4
1
5
72.83
5
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
476.40
1.1
6
12
196.35
5
(2R,6R)-6-[(3R,3aR,5aS,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-4-oxoheptanoic acid
486.70
6.4
2
5
91.67
10
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-6-(3-acetyloxy-3-methylbutanoyl)oxyspiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methylpentanoate
494.50
1.5
0
10
126.96
14
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
498.70
8.1
1
4
63.6
3
4-[2-[(1R,4aS,5S,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
480.60
2.6
4
8
125.68
7
6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one
235.24
-0.3
4
3
106.69
4
Hydron;pyridine-3-carboxylate
123.11
1
3
53.02
0
(2S,3R,4S,5S,6R)-2-[4-[(2R,3S)-3,7-dihydroxy-5-methoxy-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
510.50
0.2
6
12
176.76
7
Munronin A
528.50
1.4
1
10
137.96
4
[(1S,6S,7R,7aS)-4,7-bis(acetyloxymethyl)-7-hydroxy-6-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-1-yl] 3-acetyloxy-3-methylbutanoate
540.60
0.5
1
12
160.96
16
acinospesigenin-C
546.70
3.2
4
8
141.36
4
Glaucoside C
794.90
1.8
3
15
179.29
8
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
794.90
2.6
3
15
191.04
14
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