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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)-3-(acetyloxymethyl)-2-[(3,4-dimethoxyphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)butyl] acetate
504.60
4.3
0
9
98.75
16
methyl 2-[(1R,5S,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]-2-methylpropanoate
516.70
6
1
6
89.9
7
Pyridoxamine phosphate
248.17
-4.4
4
7
135.71
4
[(1S,2S,4S,5R,10R,11S,14S,15R,16R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-16-yl] acetate
530.60
2.7
2
8
118.12
4
5,7-dihydroxy-4-oxo-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulfonic acid
512.40
0.4
7
13
232.8
5
methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
534.60
3.2
1
9
109.75
9
N-[2-(1H-indol-3-yl)ethyl]hexacosanamide
538.90
14.5
2
1
44.89
27
[(1R,2R,3S,4S,4aR,6S,8R,8aS)-4-[(3aS,5S,6aS)-3a-hydroxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-5-yl]-1,6,8-trihydroxy-8-(hydroxymethyl)-3,4,8a-trimethyl-5-oxo-1,2,3,4a,6,7-hexahydronaphthalen-2-yl] (E)-3-phenylprop-2-enoate
546.60
0.7
5
10
162.98
6
1-O-[(1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
561.60
1.4
2
11
133.22
11
(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-5,6-dibenzoyloxy-4a-hydroxy-4,7,11b-trimethyl-5,6,6a,7,11,11a-hexahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
570.60
6.3
2
8
123.27
7
(1R,2R,3S,4R)-6-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid
572.50
1.1
8
14
256.42
11
(1S,14S)-9,20,25-trimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
594.70
5.6
2
8
81.65
3
6''-Acetylapiin
606.50
-0.3
7
15
235.04
9
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
610.50
1.8
9
14
247.81
7
3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-3-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
622.80
4.1
6
9
156.91
10
Rollinecin B
624.90
9.9
4
7
116.45
28
Rubranoside D
626.60
0.3
10
14
239.22
14
methyl (Z)-3-[(1R,2R,4S,7S,8R,9S,10R,11R,12R,13R,17S)-9,10-diacetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate
632.60
0.6
2
14
197.63
8
methyl (1R,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,26R)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(E)-2-methylbut-2-enoyl]oxy-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
632.70
1.3
2
12
148.44
6
10-Hydroxyasimicin
638.90
7.8
4
8
125.68
25
(1S,2S,13S,15R)-15-[(Z)-4,4-dimethoxy-3-methylbut-2-enyl]-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
660.80
8.5
2
8
111.52
12
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
710.60
-3.6
11
20
313.44
14
(5S,5aS,8aS,9R)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
738.70
-1.7
7
18
250.98
10
Sibiricose A4
754.70
-0.3
8
19
279.05
17
[(2R,3R,4R,5S)-4-hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
756.60
2
11
20
336.96
14
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