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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
3-[7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-6-yl]propanoic acid
398.40
-0.1
5
10
159.05
7
(3R)-6-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
413.60
4.7
2
3
52.82
2
Dulxanthone H
414.40
4
1
8
96.59
4
hydrangeifolin I
416.40
-2.3
6
10
158.3
6
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-bis(methoxymethyl)oxolan-2-yl]-1,3-benzodioxole
416.50
2.9
0
7
64.61
8
sinensol C
416.50
6.6
3
4
69.92
5
(2E,4R,7R)-4-methyl-7-prop-1-en-2-yl-2-[[(1R,7R,10R)-10,11,11-trimethyl-4-tricyclo[5.3.1.01,5]undec-4-enyl]methylidene]-5,6,7,8-tetrahydro-4H-azulene-1-carbaldehyde
416.60
7
0
1
17.07
3
Pyridoxine phosphate
249.16
-1.9
4
7
129.92
4
4-Methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
154.25
2.6
1
1
20.23
1
(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
426.70
10.5
1
1
20.23
16
(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
426.70
9.9
1
1
20.23
1
(2S,4aR,4bR,6aS,8R,10aS,12aR)-1,1,4a,6a,8,10a-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,6,7,9,10,12,12a-decahydro-2H-chrysen-2-ol
426.70
9.4
1
1
20.23
3
methyl (6aS)-1,2,3,9,10-pentamethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
429.50
3.2
0
7
75.69
6
[(E)-2-[(1S,2S,7S)-5-(hydroxymethyl)-2-[(E)-4-hydroxy-4-methylpent-2-enyl]-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
432.50
3
2
6
100.9
10
1-Hydroxydecan-3-one
172.26
2.4
1
2
37.3
8
[(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxy-3-methoxyphenyl)butyl] acetate
444.50
3.9
1
8
100.52
12
2-Phenylethyl pivalate
206.28
3.7
0
2
26.3
5
Melilotigenin C
456.70
6.6
2
3
57.53
1
(2S,3R,4S,5S,6R)-2-[4-[(3S,5S)-3,5-dihydroxydecyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
458.50
1
6
9
149.07
13
artoindonesianin C
462.40
4
2
8
123.27
3
triptexanthoside C
466.40
0.6
6
12
188.51
5
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-12-acetyloxy-3,8,14-trihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
466.60
0.9
4
8
133.52
5
[(2R,3S,4S,5R,6R)-6-[[(6S,7aS)-2-oxo-5,6,7,7a-tetrahydro-4H-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
468.40
-1
6
12
192.44
6
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
468.50
0.9
6
10
166.14
7
(3S,4S,5S)-4-hydroxy-5-(2-methylprop-1-enyl)-3-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxolan-2-one
468.70
6.7
1
4
63.6
2
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