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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,5R,8R,9R,10R,13R,14R,17S)-17-[4-[(2R)-3,3-dimethyloxiran-2-yl]but-1-en-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-yl] acetate
484.80
9.2
0
3
38.83
6
di-O-isopropylmangostin
494.60
8.5
1
6
78.13
9
N-[2-(1H-indol-3-yl)ethyl]tricosanamide
496.80
12.9
2
1
44.89
24
(1R,2R,5S,6R,8R,11R,15R,18S,19S)-5-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,2,14,14,19-pentamethyl-9,12-dioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadecane-10,13-dione
500.70
5.9
1
6
89.9
4
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N-methyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
507.50
2.3
4
8
126.71
6
methyl 2-[(1R,5S,6R,9R,10R,13S,14R,16R)-13-[(E)-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
methyl (2S)-2-[(1S,2R,6R,7R,10R,11S,12S,15R,16R)-6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4,14-dioxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-12-yl]-2-hydroxyacetate
518.60
0.8
3
10
152.73
4
cypellocarpin C
520.50
1.4
5
11
176.12
7
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
522.50
0.3
6
11
167.53
10
(+)-Isolariciresinol-3I+/--O-I(2)-D-glucopyranoside
522.50
0.5
7
11
178.53
8
Gemichalcone C
532.50
5.8
5
9
153.75
11
methyl (1R,3aS,4S,5R,8R,9aR)-8-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-5-hydroxy-1,3a,4-trimethyl-9-oxo-1,2,3,4,5,6,7,8-octahydrocyclopenta[b]naphthalene-9a-carboxylate
540.70
4.8
1
7
106.97
5
(2R,3R,4S,5S,6R)-2-[(1S,2R)-1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
548.60
1.6
4
11
145.53
12
(3R)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-8-hydroxy-3,4-dihydroisochromen-1-one
550.50
-0.4
7
13
204.83
7
(3S,4S,7S,10S)-7-benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid
553.60
4.1
5
7
154.06
8
Rocaglamide I
563.60
2.5
2
9
123.99
8
(E)-8-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-2,6-dimethyloct-2-enoic acid
572.60
0.7
5
13
198.51
15
Cohibin D
576.90
13.9
2
4
66.76
30
(2S)-7-hydroxy-8-[(E,1R,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
582.60
5.8
5
8
136.68
10
(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
594.90
7.9
3
7
113.29
26
Squamocin B
594.90
8.4
3
7
105.45
23
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate
598.70
3.8
1
9
113.66
7
[(2R,3S,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
630.50
2
9
16
266.27
7
(3S,4S,4aS,5R,6R,6aS,7R,11aS,11bR)-3-acetyloxy-5,6-dibenzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
630.70
5.9
2
10
149.57
9
[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
636.60
-0.4
7
16
244.27
10
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