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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
14-Deacetyl eurylene
552.80
5.4
3
7
105.45
15
[(1R,4S,5S,6R)-4-(1,3-benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
558.70
5.2
0
6
77.54
6
3-(z)-Caffeoyllupeol
588.90
11.8
2
4
66.76
5
Silvestrol
654.70
1.6
4
13
171.83
11
(1S,4aS,6S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
656.60
0.8
7
15
238.97
11
[(2S,3S,4R,5R,6R)-5-acetyloxy-3-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate
662.60
0.4
6
16
241.11
10
Caseargrewiin B
666.80
5.8
2
11
154.89
15
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-7-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]oxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
1006.90
2.1
10
23
349.72
18
Glycosmicine
176.17
0.3
1
2
54.86
0
polianthoside D
1229.30
-4.6
17
29
462.51
18
(E,Z)-2,4-heptadienal
110.15
1.6
0
1
17.07
3
[(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
152.23
2.1
1
1
20.23
2
2-(2-Oxoindol-3-yl)acetic acid
189.17
0.4
1
3
66.73
2
(+)-Chrysanthenone
150.22
1.7
0
1
17.07
0
(1R,3S)-4-methyl-1-propan-2-ylcyclohex-4-ene-1,3-diol
170.25
1.1
2
2
40.46
1
10,10-Dideuterioundecan-1-ol
174.32
4.6
1
1
20.23
9
(3R)-3,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
178.18
1.2
2
3
57.53
0
Cyperaquinone
242.23
3.5
0
4
60.42
1
Uroporphyrinogen III
836.80
0
12
16
361.56
20
alpha-Naphthoflavone
272.30
4.8
0
2
30.21
1
3,5,7-Trimethoxyflavone
312.30
3.3
0
5
57.9
4
1-methyl-4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzene
200.32
4.1
0
0
0
1
1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylbenzene
200.32
4.5
0
0
0
1
Phenol, 2-methyl-5-(1,2,2-trimethylcyclopentyl)-, (S)-
218.33
5.1
1
1
20.23
1
(1S,3aR,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
220.35
2.7
1
1
20.23
1
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