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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
2-Tridecanone
198.34
5.2
0
1
17.07
10
Tenacissoside M
875.00
1
6
17
230.75
12
Epicatechin 3-O-gallate(4b->8)epigallocatechin-3-O-gallate
898.70
4.3
15
21
374.51
9
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[[(3S,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
925.10
3.4
8
16
235.68
10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-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-carboxylate
1269.40
-2.8
18
29
473.51
16
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,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]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1401.50
-5.6
20
33
532.43
17
rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta[c]furan
152.23
1.6
0
1
9.23
0
(1S,9R)-4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one
219.28
1.4
0
3
33.45
0
(z)-3,3'-Dihydroxy-5-methoxystilbene
242.27
3.5
2
3
49.69
3
Psoracorylifol D
272.40
4.5
1
2
29.46
2
(4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
272.40
4.1
1
2
37.3
0
(2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine
277.40
4.8
0
2
12.47
7
5-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one
290.31
3
2
5
79.9
4
Bauhiniastatin 3
300.30
3.5
2
5
68.15
2
(2R)-5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
307.30
4.6
1
4
51.46
1
14-Deoxyandrographolide
334.40
3.4
2
4
66.76
4
(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone
358.50
4.7
1
4
63.6
3
2-methoxy-4-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]methyl]phenol
360.40
3.2
1
6
66.38
9
Sugikurojin E
360.50
5
2
4
66.76
3
(2S,3S)-2-(3,4-Dihydroxy-5-methoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
402.40
3.1
2
8
103.68
6
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2r,3s,4r,5r)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one
418.30
0.8
6
10
170.05
3
stilbostemin H 3'-beta-D-glucopyranoside
420.50
2.3
5
8
128.84
7
[(2S,3R,4R,5R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
476.50
2
2
10
122.14
9
Abamine
373.40
3.9
0
6
48
10
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
592.50
-0.8
6
14
206.97
9
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