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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
(2R,3R,4S,5S,6R)-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
515.50
-1.5
8
14
224.93
10
(1R,2R,4S,5S,8S,9S,10R,11S,12R,13S)-4,5,12,13-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
380.40
-1.7
5
8
144.52
1
methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
686.70
-1.9
8
17
260.59
14
methyl (4S,5E,6S)-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
524.50
-0.6
5
12
181.44
11
(6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-en-4-one
440.70
8.4
1
2
37.3
4
9,16-Cyclolanost-24-en-21-oic acid, 3-hydroxy-, (3I(2))-
456.70
8.3
2
3
57.53
5
Chamaecydin
448.60
6.4
1
3
54.37
2
(1'R,4R,5'S,6aS,10aS)-1-hydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-6H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,5-dione
448.60
6.4
1
3
54.37
2
(1'R,4S,5'S,6R,6aS,10aS)-1,6-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-6H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,5-dione
464.60
5.3
2
4
74.6
2
(1'R,4S,5R,5'S,6aS,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[5,6,6a,8,9,10-hexahydroacephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2-one
450.70
5.9
2
3
57.53
2
(1'R,4S,5S,5'S,6aS,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[5,6,6a,8,9,10-hexahydroacephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2-one
450.70
5.9
2
3
57.53
2
(1R,4R,5R,6S,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
412.40
-2.3
6
9
156.91
0
Eurycomanol 2-O-beta-D-glucopyranoside
572.60
-4.7
9
14
236.06
3
(1R,2S,5R,8S,9R,16R,17S,18S,21R,24R,26S,27S)-5,16-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone
526.50
-0.3
2
10
145.66
0
(1S,2S,3R,5S,6S,7R,14R,15S,18R,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone
528.50
-0.1
3
10
156.66
0
(1S,2S,3R,5S,6S,7R,14R,15S,18R,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
528.50
-0.1
3
10
156.66
0
(1S,2R,9S,10S,12S)-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
278.39
1.1
0
3
32.78
1
CID 101637361
396.40
1.3
3
8
122.52
4
(4R,4aS,6aR,7R,7aR,8S,8aR,9aS,9bS)-Tetradecahydro-7-hydroxy-4,7a,9b-trimethyl-6a,8-methano-6aH-cyclopropa[b]phenanthrene-4-carboxylic acid
318.40
4.1
2
3
57.53
1
6a,8-Methano-6aH-cyclopropa[b]phenanthren-6(2H)-one, dodecahydro-7-hydroxy-4-(hydroxymethyl)-4,7a,9b-trimethyl-, (4R,4aS,6aS,7S,7aR,8S,8aR,9aS,9bR)-
318.40
2.7
2
3
57.53
1
methyl (1S,4aR,5R,7R,7aR)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
406.40
-1.9
6
11
175.37
5
1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
460.40
-2.7
6
12
184.6
7
dimethyl (1S,4aR,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4,4a-dicarboxylate
432.40
-2
4
12
178.28
7
(2r,4As)-4a-methyl-2-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
190.32
5
0
0
0
1
(1S)-1,3,11,12,14,21-hexahydroyohimban
274.40
3.5
1
1
19.03
0
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