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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
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-[(1R,2E,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-yl]oxy-5-hydroxy-6-methyloxan-4-yl] (Z)-2-methylbut-2-enoate
492.60
4.7
1
7
91.29
8
[(2R,3R,4S,5R,6R)-5-acetyloxy-2-[(1R,2E,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-yl]oxy-4-hydroxy-6-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
492.60
4.7
1
7
91.29
8
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-[(1R,2E,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-yl]oxy-5-hydroxy-6-methyloxan-4-yl] 3-methylbut-2-enoate
492.60
4.9
1
7
91.29
8
2-[2-[[(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol
488.70
8.7
2
3
49.69
8
(1S,2S,3R,5R,6S,7R,14R,15S,18S,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
528.50
-0.1
3
10
156.66
0
Momordicine V
720.90
3.9
6
12
200.28
12
Emodin-1-O-beta-gentiobioside
594.50
-1.2
9
15
253.13
6
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-8a-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4,5-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
1235.30
-1.6
15
28
446.96
13
2-[4-[[(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol
488.70
8.7
2
3
49.69
8
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8R,8aS,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
975.10
-1.2
13
20
335.44
10
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
216.24
-1
3
3
65.12
1
methyl (1R,2R,4aS,8aS)-4a-formyl-1-[2-(furan-3-yl)ethyl]-2,5-dimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylate
358.40
2.2
0
5
73.58
6
methyl (1R,2R,4aS,8aS)-1-[2-(furan-3-yl)ethyl]-2,5-dimethyl-7-oxo-2,3,4,4a,8,8a-hexahydronaphthalene-1-carboxylate
330.40
3.2
0
4
56.51
5
5'-(Furan-3-yl)-5,7a,7b-trimethylspiro[1a,2,3,3a,5,6-hexahydronaphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-dione
344.40
2
0
5
69.04
1
(1aR,3aS,4R,5R,5'R,7aS,7bS)-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[1a,2,3,3a,5,6-hexahydronaphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-dione
344.40
2
0
5
69.04
1
N,N-dimethyl-1-(6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl)ethanamine
426.70
5.5
0
3
15.71
2
[(1S,2S,4S,9S,10R,13S)-13-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-2-methylbut-2-enoate
362.50
1.8
1
5
70.08
3
[(1S,2R,4R,5S,9S,10S)-5-hydroxy-6-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-2-methylbut-2-enoate
362.50
1.8
1
5
70.08
3
(1S,2R,5S,9S,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
264.36
1
1
3
43.78
0
8alpha,13R-Epoxy-14-labden-19-oic acid
320.50
4.4
1
3
46.53
2
Isoamberboin
264.32
0.9
1
4
63.6
0
(3R,3aR,5aS,7S,9bS)-3a,7-dihydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one
266.33
0.6
2
4
66.76
0
Zataroside B
328.36
0.7
5
7
119.61
4
1beta,10beta-Epoxydehydroleucodin
260.28
0.9
0
4
55.9
0
Euphroside
376.36
-2.6
6
10
166.14
4
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