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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
(3R,3aR,5aR,9aR,9bR)-3-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-3a,6,6,9a-tetramethyl-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
458.70
7.1
1
3
46.53
5
(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-ol
472.70
6
2
4
62.22
2
(1S,13R,17S,19S)-9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
453.50
3.2
2
7
88.46
2
(3aR,5Z,9Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
232.32
3
0
2
26.3
0
(1S,2R,7S,13R,14S,16R,19R,20R)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione
484.50
1.2
1
9
124.8
1
Candol B
288.50
5.5
1
1
20.23
1
Fukinolide
390.50
3.3
0
6
78.9
5
(3S,4R,4aR,6aR,6bS,8aR,9R,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,9-diol
472.70
5.8
4
4
80.92
2
(1R)-1-[(1S,4S,6R,8R,9S,10S,14S)-8-hydroxy-6,9,14-trimethyl-6-tetracyclo[8.5.0.01,14.04,9]pentadecanyl]ethane-1,2-diol
322.50
4
3
3
60.69
2
Erythramine
299.40
2.2
0
4
30.93
1
Pluviine
287.35
1.2
1
4
41.93
2
methyl (2S,3R,4S)-3-ethenyl-4-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
530.60
0.6
6
10
162.73
8
[(1S,4S,8R,9S,10S,11R,13S)-8-formyl-11-hydroxy-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate
404.50
1.5
1
7
106.97
4
[(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
528.70
5.3
2
6
93.06
4
(8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl) (E)-2-methylbut-2-enoate
334.40
2.9
1
4
63.6
4
[(1R,2R,7S,10R,15S)-2,6,10,14-tetramethyl-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-5,13-dien-7-yl]methanol
301.50
3
1
2
23.47
1
gamma-Solamarine
721.90
2.1
7
12
179.56
5
(1R,8S,10S,11R)-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5,12-tetraen-11-ol
359.40
1.2
1
6
60.39
3
(6R,7S,8S)-8-(1,3-benzodioxol-5-yl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
326.40
4.7
1
4
47.92
2
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
462.40
-0.4
7
11
190.28
4
Crotastriatine
363.40
1.5
0
7
82.14
2
4-methoxy-3-(2-methylbut-3-en-2-yl)-6-[(E)-2-phenylethenyl]pyran-2-one
296.40
4.7
0
3
39.44
5
(1R,6R,11R,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
490.70
5.1
4
5
97.99
6
(1S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-13-one
426.70
9.8
0
1
17.07
1
(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol
550.90
12.1
1
1
20.23
10
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