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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
(2E)-Piperamide-C5:1
273.33
2.7
0
3
38.77
4
Nepitrin
478.40
0.5
7
12
199.51
5
Isoiridomyrmecin
168.23
2.6
0
2
26.3
0
4-[(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
281.35
0.5
2
4
83.47
3
Tecostanine
183.29
1.8
1
2
23.47
1
3-[(6-Deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
712.80
-0.3
7
14
214.06
7
3-Epicabraleahydroxylactone
416.60
6.9
1
3
46.53
1
(2R,3R,4S)-2-(4-hydroxyphenyl)-5-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
562.50
2
9
11
200.53
3
(2R,3R,4R)-2-(4-hydroxyphenyl)-5-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
562.50
2
9
11
200.53
3
(2R,3R,4R)-2-(4-hydroxyphenyl)-5-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
562.50
2
9
11
200.53
3
(1R,3S,7S,10R,15R,17S,18R,21S,22R,23S,25R,29R)-23-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
542.60
0.7
1
10
134.66
0
(1R,3S,7S,10R,15R,17S,18R,21R,22S,23S,25R,29S)-22,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
558.60
-0.4
2
11
154.89
0
(1R,3S,7S,10R,15R,17S,18R,21S,22R,23R,25R,29R)-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
526.60
1.6
0
9
114.43
0
Lancifodilactone C
544.60
0.8
1
10
134.66
0
Cycloart-23-en-3beta,25-diol
442.70
8
2
2
40.46
4
CID 12082288
350.40
2.5
1
4
58.64
3
10-Hydroxyscandine
366.40
2.1
2
5
78.87
3
Meloscandonine
320.40
1.9
1
3
49.41
0
(1S,10R,12S,13R,20S)-12-methyl-8,17-diazahexacyclo[11.6.1.110,13.01,10.02,7.017,20]henicosa-2,4,6,14-tetraene-9,11-dione
320.40
1.9
1
3
49.41
0
Dihydroxybergamottin
372.40
3.4
2
6
93.04
7
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
897.10
2.8
9
17
271.59
9
methyl (1R,4aS,5R,8aR)-5-[(2R)-2-acetyloxy-2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
388.50
4.5
0
5
65.74
7
7-Methoxy-beta-carboline-1-propionic acid
270.28
3
2
4
75.21
4
(4aR,7R,8S,8aR)-4,4a,7,8-tetramethyl-8-(3-oxobutyl)-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
276.40
3.4
0
2
34.14
3
CID 12082783
458.70
8.4
2
3
57.53
1
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