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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
CID 10837661
460.50
1.5
3
9
195.59
0
2,3-Secoporrigenin
460.60
4.7
1
6
82.06
2
3'-Dehydroxynyasicoside
462.40
0.1
8
10
180.3
7
(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate
464.60
2.7
0
8
115.18
7
[(1R,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2-acetyloxy-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
484.60
0.9
5
9
153.75
5
Uncaric acid
488.70
4.6
4
5
97.99
1
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
0.5
6
12
188.51
6
methyl 2-methyl-2-[(1R,5S,6R,9R,10R,13S,14R,16R)-5,9,10-trimethyl-13-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]propanoate
498.70
7.5
0
5
69.67
6
Artonol C
500.50
6
3
7
109.36
1
6beta-Hydroxyhovenic acid
504.70
5.2
5
6
118.22
3
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-12a-hydroperoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl] acetate
514.70
7.1
1
5
72.83
3
Methyl 1-Formyloxyrocaglate
520.50
3.3
1
9
109.75
9
Sinensol F
522.60
8.2
4
5
90.15
7
methyl N-[4-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]carbamate
525.10
-0.3
3
8
135.55
8
quadrangularic acid G
532.70
5.8
4
7
124.29
8
[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
534.50
1.3
6
13
209.51
10
Semperviraminol
564.80
6.3
2
5
78.87
6
methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
570.50
-1
6
14
210.9
12
[4-Ethenyl-2,2,4-trimethyl-3-(prop-1-en-2-yl)cyclohexyl]methyl acetate
264.40
5.2
0
2
26.3
5
lupulin A
582.70
2.9
1
11
139.35
11
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
590.90
11.6
1
4
55.76
11
apigenin-7-O-gentiobioside
594.50
-1.3
9
15
249.2
7
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one
608.70
-0.2
2
14
159.06
10
(2S,3S)-2-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
610.70
4.6
6
8
157.58
11
(2S)-2-methyl-4-[(2R,6R,13R)-2,6,13-trihydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2H-furan-5-one
610.90
6.7
4
8
133.52
26
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