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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
7-Megastigmene-3,5,6,9-tetraol
244.33
0.1
4
4
80.92
2
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2S)-4-[(1S,2S,4R)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxane-3,4,5-triol
406.50
-1.5
7
9
160.07
5
(6S)-2-methyl-6-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-1-en-3-one
799.00
1.6
9
14
236.06
10
(3R,3aS,6E,9R,10S,11aR)-9-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
252.35
2.7
1
3
46.53
0
(2R)-7-phenylhepta-4,6-diyne-1,2-diol
200.23
1.7
2
2
40.46
4
Quillaic acid
486.70
6.1
3
5
94.83
2
Cerevisterol
430.70
5.6
3
3
60.69
4
Shinjulactone L
406.50
1.9
1
7
106.97
2
[(1R,3S,4S,5R,6R,8R,9R,11R,14R,15S)-9,11-diacetyloxy-3,8,12,12,15-pentamethyl-13,16-dioxo-7,17-dioxatetracyclo[12.2.1.01,5.06,8]heptadecan-4-yl] benzoate
570.60
3.6
0
10
134.8
7
(1R,8R,10R,11S)-10-(1,3-benzodioxol-5-yl)-3-methoxy-11-methyl-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one
340.40
3.5
0
5
53.99
2
(3R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene-3,5-diol
238.37
2.4
2
2
40.46
0
(1S,6S,10S,13R,17R)-13,17-dihydroxy-3,13,17-trimethyl-9-methylidene-5-oxatetracyclo[8.7.0.02,6.011,15]heptadeca-2,11(15)-diene-4,12-dione
344.40
0.2
2
5
83.83
0
10-[[(1S,2R)-1,5-dihydroxy-11-methyl-6-oxo-2-propan-2-yl-1,2-dihydrofuro[2,3-c]acridin-10-yl]oxy]-6,11-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
662.70
7.1
4
11
152.61
3
(1S,3Z,5R,9S,12Z)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,12,16(19)-triene-7,17-dione
328.40
2.4
0
4
52.6
0
(1S,2S,4aR,8aR)-2-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxamide
355.50
5.2
1
3
47.56
4
(1R,2R,4aS,8aS)-2-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxamide
355.50
5.2
1
3
47.56
4
(1R,3R,3aS,4S,8aR)-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulene-1,3,4-triol
254.36
1.6
3
3
60.69
1
methyl (E)-3-[5-[3-[(2S,3R)-3-ethyloxiran-2-yl]prop-2-ynoyl]furan-2-yl]prop-2-enoate
274.27
2.4
0
5
69.04
5
(1R,9R,17S)-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-3,5,13,17-tetrol
288.25
1.1
4
6
99.38
0
(3R)-5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
354.40
3.5
3
6
96.22
1
(2S,3S,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
678.70
6.8
6
9
149.07
3
[(1R,3R,4S,6S,8S,9R,10S,11S)-8-hydroxy-3,8-dimethyl-12-methylidene-9-(2-methylprop-2-enoyloxy)-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl] 2-methylprop-2-enoate
448.50
2.5
1
9
128.73
6
Sepaconitine
558.70
0.7
4
10
143.94
7
(1R,2R,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,3,8,13-tetrol
439.50
-1.4
4
8
111.85
4
(1S,3R,6S,8S,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylheptan-2-yl]-12,16-dimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
414.70
9.6
1
1
20.23
5
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