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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
methyl (4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylate
264.36
3.6
0
3
43.37
6
(3aS,9aR,9bS)-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
244.28
1.5
0
3
43.37
0
(4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylic acid
250.33
3.3
1
3
54.37
5
(1R,14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
594.70
5.9
2
8
81.65
3
(1S,4S,7R,8S,11R,12R,13S)-7-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
279.37
1.8
1
4
49.77
1
(-)-Dendrobin
263.37
3
0
3
29.54
1
(1R,4S,5R,8R,13R,14S,17R,18S,21S)-5,8,11,11,14,17,23,23-octamethyl-22-oxahexacyclo[19.1.1.01,18.04,17.05,14.08,13]tricosane
426.70
9.7
0
1
9.23
0
Griselinoside
432.40
-2.4
4
12
178.28
7
(3S,3aS,6S,6aR,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
248.32
2.2
0
3
43.37
0
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1035.20
-0.4
12
22
335.06
11
(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-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
Veramiline
399.70
6.5
2
2
32.26
2
CID 15559043
344.40
1.9
0
6
74.97
1
Ebelin lactone
454.70
8.2
1
3
46.53
3
(-)-Eburnamenine
278.40
3.7
0
1
8.17
1
Echioidinin
284.26
2.1
2
5
79.9
2
3-[2-[(1S,2R,4R,4aR,8aR)-4-hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
318.40
3.7
1
3
46.53
3
(1R)-1-[(1S,4S,6S,9S,10R,14S)-6,9,14-trimethyl-6-tetracyclo[8.5.0.01,14.04,9]pentadecanyl]ethane-1,2-diol
306.50
5.1
2
2
40.46
2
(3aS,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
246.30
1.8
0
3
43.37
0
Desglucocoroloside
504.70
2.5
3
7
105.45
3
6-Methoxy-7-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-2H-1-benzopyran-2-one
486.40
-2.4
6
13
197.74
6
Falcarindione
256.34
5.4
0
2
34.14
9
1,9-Heptadecadiene-4,6-diyne-3,8-dione, (Z)-
256.34
5.4
0
2
34.14
9
8-Hydroxyfalcarinone
258.35
4.9
1
2
37.3
9
Fallacinal
298.25
2.1
2
6
100.9
2
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