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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
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
438.50
6.2
3
6
96.22
6
(4S,5E,6S)-5-ethylidene-4-[2-[2-(3-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
510.50
-0.4
6
12
192.44
10
methyl (4S,5E,6S)-4-[2-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
556.50
-1.6
7
14
221.9
11
methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
556.50
-1.6
7
14
221.9
11
(1R,2S,5S)-2-[(1S)-1-carboxy-2-[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]oxyethyl]-5-methylcyclopentane-1-carboxylic acid
602.60
-0.7
6
15
235.81
13
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxan-2-yl]methoxy]propanoic acid
530.40
0.6
4
13
191.42
8
Afrormosin 7-O-beta-d-glucoside-6''-O-malonate
546.50
0.7
4
13
191.42
10
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[6-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
532.40
0.4
5
13
202.42
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
472.40
1
3
10
144.89
7
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxan-2-yl]methyl acetate
486.40
0.9
3
11
154.12
6
(3E)-3-[2-[(4R,4aS,8aS)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
318.40
4.3
1
3
46.53
2
(3E)-3-[2-[(3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
332.40
3.5
1
4
63.6
2
(1aR,3S,5R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene-3,5-diol
236.35
2.1
2
2
40.46
0
methyl 1,2,3,4,6,7,8-heptahydroxy-10-oxo-9H-anthracene-9-carboxylate
364.26
1
7
10
184.98
2
1,2,3,4,6,7,8-heptahydroxy-10-oxo-9H-anthracene-9-carboxylic acid
350.23
0.7
8
10
195.98
1
(2R,3R,6R)-2-chloro-3-hydroxy-3-methyl-6-propan-2-ylcyclohexan-1-one
204.69
2
1
2
37.3
1
[(2R,3S,4S,5R,6S)-6-[[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-methylbutanoate
675.00
9.4
3
7
105.45
13
[(2R,3S,4S,5R,6S)-6-[[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
829.30
15.5
3
7
105.45
25
5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
594.60
-0.7
7
14
214.06
7
(13S)-13-[[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]oxy]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
712.70
8.4
0
11
89.55
6
2,10,11-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
337.40
1.4
0
5
48
3
1-[(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-yl]ethanone
337.40
2.7
0
4
48
1
(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]oxane-3,4,5-triol
873.10
1.1
10
16
257.68
7
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
901.10
2
10
16
257.68
7
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1033.20
0.4
12
20
316.6
9
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