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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,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
584.50
1.4
9
14
247.81
6
muricin F
594.90
8
4
7
116.45
25
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
600.90
10
2
4
70.06
11
enniatin J1
611.80
5.6
0
9
139.83
5
2-[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-7,8,10-triacetyloxy-4,12,13-trihydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-2-yl]propan-2-yl benzoate
630.70
0.8
3
12
175.12
10
[(2R,3R,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
903.70
3.5
12
23
390.21
16
Ghvlmmxlljqwqx-hsfiyanasa-
1269.20
0.4
13
30
451.26
28
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl] 3,4-dimethoxybenzoate
1389.50
-1.6
14
31
463.65
25
Pent-4-enamide
99.13
0.2
1
1
43.09
3
(+)-p-Menth-1-ene
138.25
3.4
0
0
0
1
Ginsenoside Ro
957.10
2.7
11
19
312.05
10
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9,10-dibenzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
1183.30
5
10
22
336.58
16
(7aS)-1-Methylenehexahydro-1H-pyrrolizine
123.20
1.1
0
1
3.24
0
Epoxyartemisia ketone
168.23
1.9
0
2
29.6
3
2,2,2-Trideuterio-1-(2-hydroxy-4-methoxyphenyl)ethanone
169.19
2
1
3
46.53
2
(4S)-4-(4-methylphenyl)pentanal
176.25
2.7
0
1
17.07
4
[(3S,5Z)-undeca-1,5-dien-3-yl] acetate
210.31
4.2
0
2
26.3
9
(6R,9S)-vomifoliol
224.30
0.5
2
3
57.53
2
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
224.34
1
0
3
23.55
4
2-[(1S,2S)-2-(hydroxymethyl)-1,2-dimethylcyclopentyl]-4-methylphenol
234.33
3.7
2
2
40.46
2
Belamphenone
244.24
2.1
3
4
77.76
3
Methyl 7-methoxy-9H-carbazole-3-carboxylate
255.27
3.2
1
3
51.32
3
(1R,4S,6R,9S)-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
261.36
1.6
0
3
37.38
0
Vaginidiol
262.26
1.4
2
5
79.9
1
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
274.30
4.2
0
3
43.37
1
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