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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
(1-acetamido-7-chloro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl) N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-ylmethyl)carbamate
398.90
0.1
2
6
83.14
5
Lantanilic acid
568.80
7.4
2
6
93.06
4
dimethyl (5R,5'S,6R,8S)-8-acetyloxy-5'-(furan-3-yl)-6-methyl-2'-oxospiro[2,3,4,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1,1-dicarboxylate
460.50
1.9
0
9
118.34
7
(4R,4aS,5R)-4-hydroxy-4a,5-dimethyl-5,6-dihydro-4H-naphthalene-1,7-dione
206.24
0.6
1
3
54.37
0
(1R,9R)-5-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one
313.30
1.5
2
5
67.79
2
Deacetyldeformopicraline; Picraline, deacetyldeformo-
338.40
2.1
1
5
50.8
2
(2S,4S)-2-amino-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxopentanoic acid
244.24
-3.8
5
6
132.88
7
(1S,3S,6R,8S,11R,12S,15R,16S,19S,20S,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,19-triol
476.70
6.2
4
4
80.92
1
[(1S,3S,6R,8S,11R,12S,15R,16S,21R)-1-hydroxy-3,7,7,11,16,20,20-heptamethyl-19-oxo-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricosanyl] acetate
500.80
7.2
1
4
63.6
2
(3S,6R,8S,11R,12S,15S,16R,19R,20S,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1-ene-8,19-diol
458.70
7.1
3
3
60.69
1
(3S,6R,7R,8R,11R,12S,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1-ene-7-carboxylic acid
472.70
7
3
4
77.76
1
(3aS,7R,10Z,11aR)-7-hydroperoxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
264.32
1.1
1
4
55.76
1
[(2S,3R,4S,5R,6R)-2-[[(1R,18S,19R,20S)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
660.70
2.4
6
11
191.24
8
(1S,2R,4S,5R,9S,10S,11R,13S,14R)-2,4-dihydroxy-2,11-dimethyl-6-methylidene-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-7-one
294.30
-0.8
2
6
91.82
0
[(1R,2R,4S,5R,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] acetate
336.30
-0.2
1
7
97.89
2
Rhodojaponin V
410.50
0.3
4
7
119.75
2
Resinone
440.70
8
1
2
37.3
1
(1S,2S,3'S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',14,16-triol
444.60
3.1
3
5
79.15
0
Rhodojaponin VII
470.60
-0.2
5
9
153.75
4
Rbh74ML2WZ
222.37
4.8
1
1
20.23
3
(3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methylprop-2-enoyl]oxy-5,10-dihydroxy-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
652.90
7.2
3
7
113.29
5
(1S,3R,5S,8S,9R,12R,13S,14R)-14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
294.30
0.6
1
6
85.36
1
[(2R,4aS,8S,8aR)-3,8-dimethyl-6-oxo-5-propan-2-ylidene-1,2,4a,7,8,8a-hexahydronaphthalen-2-yl] acetate
276.40
2.9
0
3
43.37
2
(4Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-ol
354.40
2.7
1
6
66.38
3
(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(2S,6S)-7-hydroxy-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
430.60
3.8
2
4
74.6
6
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