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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
5-Hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
594.60
6.3
2
10
137.8
7
[(2R,3R,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
599.50
1.2
8
15
256.69
10
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one
600.90
9.7
2
4
66.76
10
[(1S,2R,3aR,4S,5S,6E,9S,10S,11S,12E,13aS)-3a,4,9,10-tetraacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
642.70
4.7
1
11
151.73
11
Soyacerebroside I
714.00
9.6
7
9
168.94
32
Excoecarin R1
720.90
5.4
4
11
176.89
13
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
764.90
2.2
8
13
215.83
7
Draconin C
780.90
-0.1
7
15
223.29
6
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trimethoxybenzoate
1095.20
2.7
8
22
314.58
20
[(2S,3R,4S,5S)-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
1225.30
-3.8
15
28
439.12
20
Crbqezwkyrdlsx-xvhikbfhsa-
1281.20
-2.1
14
32
480.72
27
(2s,4s)-4-Hydroxynorvaline
133.15
-3.3
3
4
83.55
3
(5R)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde
152.19
0.2
0
2
34.14
3
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol
152.23
2.4
1
1
20.23
1
2,4,4-Trimethylcyclohexene-1-carbaldehyde
152.23
2.2
0
1
17.07
1
(4S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
168.23
0.8
1
2
37.3
1
Prelactone B
172.22
1.4
1
3
46.53
1
alpha-D-fructofuranose
180.16
-2.3
5
6
110.38
2
4-Methoxy-2-methyl-5-propan-2-ylphenol
180.24
2.8
1
2
29.46
2
(3aS,4R,5S,6aS)-4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
182.22
1.1
1
3
46.53
1
7-Methoxy-6-methyl-2H-1-benzopyran-2-one
190.19
2.2
0
3
39.44
1
2-(1-Hydroxy-2-methoxypropan-2-yl)-5-methylphenol
196.24
1.1
2
3
49.69
3
Norsecurinine
203.24
0.7
0
3
29.54
0
(1S,2S,4R)-4-[(1R)-1,2-Dihydroxy-1-methylethyl]-1-methyl-1,2-cyclohexanediol
204.26
-0.8
4
4
80.92
2
(+)-beta-Cedrene
204.35
4.9
0
0
0
0
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