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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
(1S,4aS,6S,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
376.36
-1.7
6
10
166.14
4
2,7-Phenanthrenediol, 3,4-dimethoxy-
270.28
3.7
2
4
58.92
2
1,5-Dimethoxyphenanthrene-2,7-diol
270.28
3.7
2
4
58.92
2
Urea, N-(2-chloro-4-pyridinyl)-N-phenyl-
247.68
2.2
1
2
59.22
2
Clivonidine
299.32
2.2
0
5
48
0
(4R,5S,7R,25S,26R,29R,30R,31S)-29-(carboxymethyl)-13,14,15,18,19,20,31,34,35-nonahydroxy-2,10,23,28-tetraoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.04,25.07,26.011,16.017,22.033,37]heptatriaconta-1(36),11,13,15,17,19,21,33(37),34-nonaene-31-carboxylic acid
970.70
0.1
14
28
467.32
6
(2S,3S,4S,5S,6S)-2-[(2S,3S,4S,5S,6R)-2-[[(1S,4aR,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
686.60
-7.3
13
20
327.6
10
(5R,6S,7aS)-6-ethenyl-3,6-dimethyl-5-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-4,5,7,7a-tetrahydro-1-benzofuran-2-one
410.50
0.7
4
8
125.68
6
Aculeatiside A
1047.20
-1.5
12
22
335.06
11
rel-(1R,3S,4S,5S)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid
368.30
-0.1
5
9
153.75
6
(3S,5S,8S,9S,10R,13R,14R,17S)-3-hydroxy-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
432.70
6.6
2
3
57.53
5
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
338.40
3.7
2
5
75.99
1
Tenaxin I
344.30
2.9
2
7
98.36
4
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,2R,5S,8R,9S,10R,12R,16R,17S,18S,21S)-16-hydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylate
955.10
1.1
10
19
301.05
11
Camphor (synthetic)
152.23
2.2
0
1
17.07
0
2-Hydroxyethyl disulfide
154.30
-0.5
2
4
91.06
5
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
662.90
5.1
4
9
127.07
9
Sendanolactone
466.70
5.8
0
4
60.44
3
2-methoxy-5-[[(1S)-6-methoxy-2-methyl-7-[2,3,4-trimethoxy-5-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
744.90
6.6
1
12
109.78
14
Haplogenin
332.26
2.1
5
8
140.59
2
Isochandalone
404.50
5.9
2
5
79.9
3
Qsnyuaflcywojs-obfrhmhysa-
678.80
2.6
5
11
164.37
5
Beesioside I
720.90
3.2
4
12
170.44
7
Mukaadial
266.33
1.7
2
4
74.6
2
4-Phenyl-3-buten-2-one
146.19
2.1
0
1
17.07
2
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