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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
8-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-5,7-dimethoxyphenanthrene-4,10-diol
508.50
7
4
7
108.61
4
(1R,2R,4R,6S,9R,12S,13R,18R,19R)-8-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18,19-dihydroxy-4,9,13-trimethyl-3,5-dioxapentacyclo[10.8.0.02,6.02,9.013,18]icosa-7,15-dien-14-one
512.60
2.7
2
7
102.29
2
[(1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxo-1,2,3,4,4b,5,7,9,10,10a-decahydrocyclopenta[b]fluoren-1-yl] benzoate
614.70
2.8
2
11
162.73
9
(1R,4R,8R,9R,10S)-8-benzoyl-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
586.80
8.7
1
5
80.67
10
[(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-7,15-diacetyloxy-5,9,11,11-tetramethyl-1-(2-methylpropanoyloxymethyl)-8-oxo-4-propanoyloxy-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate
696.80
5
0
12
157.8
14
4-[[(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(2R,4R)-4-(3-carboxypropanoyloxy)-6-methylhept-5-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
672.90
7.4
2
9
136.43
15
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylbutanoyloxy)-4-(2-methylpropanoyloxy)-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] pyridine-3-carboxylate
841.90
3.5
0
17
223.29
18
(2R,3R,4S,5S,6R)-2-[(4R,6R)-6-[(3S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
634.90
5.7
5
8
128.84
8
(1R,4R,6S,8R,10S,11E,14S)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
250.25
0.4
1
5
64.99
0
(6aR,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
354.40
3.5
2
5
68.15
3
6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-S-[(1Z)-5-(methanesulfinyl)-N-sulfopent-4-enimidoyl]-1-thio-beta-D-glucopyranose
625.70
-0.6
5
16
271.6
14
6-(Methylthio)hexyldesulfoglucosinolate
369.50
1
5
9
173.34
10
Isodityrosine
360.40
-3.6
5
8
156.1
8
(1S,5R,6S,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
204.35
4.7
0
0
0
1
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-1-methyl-6-methylene-
294.30
2
1
4
67.51
0
[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
967.00
-2.8
14
23
374.13
13
Armillarin
414.50
4.8
2
6
93.06
5
Rohitukine
305.32
1.4
3
6
94.14
1
CID 13422576
305.32
1.4
3
6
94.14
1
10-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
736.90
3.2
7
12
195.6
6
(1S)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one
166.22
1.8
0
2
29.6
0
(3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
415.70
5.2
3
3
52.49
2
Pteroside B
380.40
0.9
4
7
116.45
5
6-Keto-28-homobrassinolide
478.70
5.1
4
5
97.99
6
3-Pentadec-10-enylbrenzcatechin
318.50
8.1
2
2
40.46
13
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