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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
Cycloaltilisin 6
819.00
12.5
8
10
195.98
19
3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
190.27
1.5
0
2
40.9
0
Usaramine;mucronatine
351.40
0.6
2
7
96.3
1
(2S,3R,4S,5S,6R)-2-[[(2S,4R,5S,6S,10R)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
362.33
-3.2
6
10
161.6
3
(4S,5R)-5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
170.21
-0.7
2
3
57.53
3
(8Z)-5-hydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
354.40
3.8
1
5
64.99
2
1H,4H-3a,8a-Epoxyazulene, hexahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1I+/-,3aI(2),4I+/-,7I+/-,8aI(2))]-
220.35
4.2
0
1
12.53
1
(2S,3S,6R)-3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
236.35
3.1
0
2
34.14
4
(2R,3S,6R)-3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
236.35
3.1
0
2
34.14
4
10,22-Dihydroxy-7,18,18-trimethyl-7-(4-methylpent-3-enyl)-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one
460.50
6.6
2
6
89.13
3
[(1Z,3S,5R,7S)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
430.60
5.9
0
5
69.67
9
(1S,2R,3R,9S,10S,17S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
906.90
9.1
10
12
220.76
6
quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
918.80
-0.8
13
23
374.88
13
[(2R,4aS,5R,8aR)-5,6-diformyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
292.40
2.3
0
4
60.44
4
(1S,4aS,6S,8aS)-6,8a-dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
232.32
2.4
0
2
34.14
2
[(2S,4aR,7S,8aR)-6-formyl-7-hydroxy-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl] acetate
280.36
2.6
1
4
63.6
3
(3S,4aS,6S,8aR)-3-hydroxy-6,8a-dimethyl-5-methylidene-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
220.31
2.7
1
2
37.3
1
methyl (Z,9R)-9-hydroxyoctadec-12-enoate
312.50
5.9
1
3
46.53
16
(3S)-3-ethoxynonane
172.31
4.3
0
1
9.23
8
[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-3-acetyloxy-2-hydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate
453.50
1
1
9
111.6
12
methyl 2-[(1S,2S)-2-[(1aR,3S,3aS,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
496.60
3.4
0
7
95.34
7
[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
666.70
0.1
6
15
227.97
15
[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
666.70
0.1
6
15
227.97
15
[(1S,4aS,6S,7S,7aS)-6-acetyloxy-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
546.60
-0.5
4
13
187.51
12
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-hydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
562.60
-1.6
5
14
207.74
13
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