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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,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.7
0
2
26.3
2
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)oxy]oxane-3,4,5-triol
472.40
-0.9
6
12
176.76
8
(1S,2S,5R,6S,9R,10R,13R)-6-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-15-ol
474.70
6.3
2
4
58.92
2
(1S,2S,3S)-2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-1-sulfonate
476.50
1.9
1
7
129.14
6
Kelampayoside A
478.40
-2.1
6
13
185.99
9
methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2-(hydroxymethyl)-4a,6a,6a,9,14a-pentamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
480.60
5
2
5
83.83
3
Tritriacontan-17-ol
480.90
16.2
1
1
20.23
30
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylate
484.70
6.6
1
4
63.6
2
2-Methyl-2-butene
70.13
2.3
0
0
0
0
di-O-allylmangostin
490.60
8.2
1
6
78.13
11
Passifloricin C
500.70
7.2
3
7
113.29
22
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-N-butyl-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
509.80
8.2
1
2
46.17
4
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
512.70
7
1
5
80.67
3
methyl 2-[(1R,5S,6R,9R,10R,13S,14R,16R)-13-[(Z)-6-hydroxy-6-methyl-4-oxohept-2-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
5.9
1
6
89.9
7
[(1R,2R,3S,3aR,8bS)-2-carbamoyl-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
519.50
2.3
2
8
126.54
8
3'-O-Caffeoylsweroside
520.50
1
5
12
181.44
8
Coagulin H
520.60
-0.2
6
9
164.75
2
(1S,2S,13S,15R)-6,8-dihydroxy-17,17-dimethyl-5,13,15-tris(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
532.70
7.2
2
6
93.06
6
Ethyl 3,4-dicaffeoylquinate
544.50
2.2
6
12
200.28
11
(6aR,12aR)-12-[5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxyphenyl]-3-methoxy-6a,12-dihydro-6H-chromeno[2,3-c]chromene-9,12a-diol
554.60
4.8
3
8
106.84
4
[(2R,4S,5R,6R)-5-acetyloxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] (E)-3-phenylprop-2-enoate
572.70
6.7
0
7
88.13
10
(E)-1-[2,4-dihydroxy-3-[(E,1R,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
582.60
6.8
6
8
147.68
12
Aromin-A
592.80
7.9
2
7
102.29
23
1,8-dihydroxy-5,6-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
598.50
-1.5
8
16
247.43
7
(2S)-2-methyl-4-[(2R,6R,13R)-2,6,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2H-furan-5-one
610.90
6.7
4
8
133.52
26
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