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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
5-Hydroxy-7-(3-methylbut-2-enoxy)-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
406.50
6.3
1
5
68.9
7
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
340.40
1.3
1
4
50.8
1
(4aS,5R,6S,7S,7aS)-5,6,7a-trihydroxy-7-methyl-4a,5,6,7-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
230.21
-1.6
4
6
107.22
1
(1S,2S,3S,6R,7S,9S,12S)-1-hydroxy-12-methyl-5,8,10-trioxatetracyclo[5.4.1.02,6.03,9]dodecan-4-one
212.20
-0.6
1
5
64.99
0
Murrayazolinine
349.50
4.8
2
2
45.25
1
benzyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
552.50
-1
7
13
204.83
10
benzyl 2,3-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]benzoate
568.50
-1.1
8
14
225.06
10
benzyl 2,6-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]benzoate
568.50
-1.1
8
14
225.06
10
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
932.80
-3.9
14
25
396.5
12
Foliachinenoside C
598.60
-0.6
7
14
206.22
11
(1S,2S,5R,6S,8R,9R,10S,13S,17S)-6,9-dihydroxy-6-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
350.40
1.9
3
5
86.99
1
methyl (1R,2R,3S,4S,5S,9S,10S,13R,14S)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
382.50
1.4
4
6
107.22
3
(1R,2R,3S,4S,5S,9S,10S,13R,14S)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
368.50
1.1
5
6
118.22
2
(1S,5S,6R)-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
306.31
0.2
2
6
85.22
4
[(3R)-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]chromen-3-yl] (2E,6E)-2,6-dimethylocta-2,6-dienoate
408.50
5.3
0
5
69.67
6
(6R)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one
299.32
1.3
1
5
59
0
(1R,2S,4S,7Z,8R,9S)-5-[(Z)-[(3aS,4S,5S,6aS)-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-3a,5,6,6a-tetrahydrocyclopenta[b]furan-3-ylidene]methyl]-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
566.60
1.3
2
9
118
4
(2R,3R,4S,5S,6R)-2-[(E)-4-[(1S,4R,5R,6S,7S,9S,11S,12S,15S,17S,20R)-17-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1119.30
0.8
14
23
366.29
15
1-[5-prop-1-ynyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxythiophen-2-yl]ethanone
342.40
0.3
4
8
144.69
5
3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
474.70
7.3
2
4
66.76
6
methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
488.70
7.6
1
4
55.76
7
3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
902.80
-4.2
14
24
387.27
12
3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
886.80
-3.7
13
23
367.04
11
(1S,4S,5S,8R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
236.35
2.9
0
2
34.14
1
(2S)-5-(diaminomethylideneamino)-2-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methylamino]pentanoic acid
498.50
-7.7
11
14
283.03
11
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