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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
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.8
1
1
20.23
5
(1R,2E,6Z,10R)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
218.33
3.4
0
1
17.07
1
[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate
548.60
2.8
1
10
130.12
9
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
722.90
3
6
12
176.76
5
(2S,5S,9S,10R,11R,15R,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
364.40
0.1
4
6
107.22
0
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1297.40
-2.5
18
30
490.58
16
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
460.70
7.2
2
3
49.69
2
(3S,5S,6R,7R,8S,9R,10S,13R,14S,15R,17R)-17-[(2R)-5-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-2-hydroxy-1-methoxyethyl]oxolan-2-yl]oxymethyl]-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,7,8,15-pentol
674.90
0.5
9
12
209.76
11
(3R)-5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
540.70
9.6
1
2
39.18
6
(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
540.70
9.6
1
2
39.18
6
[(1S,19R,20R,21S,22R)-6,7,8,11,12,13,20,22-octahydroxy-3,16-dioxo-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
634.50
0.1
11
18
310.66
3
14-Methyl-cholest-8(9)-en-3b-ol
400.70
8.5
1
1
20.23
5
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
462.40
0.2
7
11
190.28
4
[(1S,8R,9R,19R,21S,22R,23R)-7,7,8,12,13-pentahydroxy-3,6,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,24-tetraoxapentacyclo[17.3.1.18,11.04,9.010,15]tetracosa-4,10,12,14-tetraen-23-yl] 3,4,5-trihydroxybenzoate
954.70
-0.3
14
27
450.25
9
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
867.00
2.2
8
16
251.36
10
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
867.00
2.2
8
16
251.36
10
4-[(2Z)-2-sulfooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]phenolate
424.40
0.1
5
12
222.85
7
(4aR,4bR,8S,8aR,10aR)-1,1,4a,6',7',8a-hexamethyl-7-methylidenespiro[3,4,4b,5,6,9,10,10a-octahydrophenanthrene-8,2'-3H-furo[3,2-c]pyran]-2,4'-dione
424.60
4.7
0
4
56.51
0
[(5R,6R,7S,8R,9R,10R,13R,17S)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-6-yl] acetate
508.60
4.4
0
7
99.88
5
Paulitin
276.28
1.1
0
5
65.13
0
(1S,3S,6S,10R,11S)-3,11-dimethyl-7-methylidene-2,9,12-trioxatetracyclo[9.4.0.01,3.06,10]pentadec-14-ene-8,13-dione
276.28
1.1
0
5
65.13
0
[(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (E)-2-methylbut-2-enoate
376.40
1
1
7
97.89
3
Teucrin G
390.40
0.1
2
8
118.73
1
(8R,13aS)-2,3,10-trimethoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-11-ol
355.40
3.3
1
5
51.16
3
(1R,2S,3R,6S,7R,8S,13S,14R,15R,16S,17S)-3,7,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
394.40
-1.8
4
8
133.52
0
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