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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
(3R,6S)-3-[(4-hydroxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
262.30
1.7
3
3
78.43
3
ent-3beta-Hydroxykaur-16-en-19-oic acid
318.40
4.6
2
3
57.53
1
4-Hydroxy-7-phenylfuro[3,2-g]chromen-5-one
278.26
3.8
1
4
63.58
1
1,2,3-Trimethoxybenzene
168.19
1.5
0
3
27.69
3
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
624.50
-1
9
16
258.43
7
methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
466.50
2.2
0
7
92.04
4
Bis(1-methyl thio)propyl disulfide
242.50
4.3
0
4
101.2
7
(2R)-4-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-methoxy-2H-furan-5-one
330.50
5.4
0
3
35.53
3
Anhydromaggiemycin
408.40
5
4
8
141.36
3
3-Methoxybibenzyl
212.29
4.5
0
1
9.23
4
5-hydroxy-7-methoxy-3-[4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
446.40
1.2
5
10
159.05
5
(1S,2R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol
238.37
3.3
2
2
40.46
4
1-(5,7-Dimethoxy-2,2-dimethyl-2H-chromen-8-yl)ethanone
262.30
2.5
0
4
44.76
3
3-Pentenenitrile, (3Z)-
81.12
1
0
1
23.79
1
(1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
320.30
1.4
4
6
99.38
6
(1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
320.30
1.4
4
6
99.38
6
2,5-Dideoxy-2,5-imino-D-mannitol
163.17
-1.8
5
5
92.95
2
(2R,3S,4R,5R,6S)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
362.33
-4.1
7
10
169.3
4
[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
404.50
1.8
1
7
99.13
6
(2S,3S,4R,5R,6S)-2-[(4E,6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
396.40
-0.6
6
8
139.84
9
(E,2R,9S,13S)-5,9,13,17-tetramethyl-2-[(6R,10R)-6,10,14-trimethylpentadec-1-en-2-yl]octadec-4-en-1-ol
575.00
17.3
1
1
20.23
28
[(1R,2S,4R,8S,9S,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
352.40
2.8
1
6
82.06
3
4-[2-[(1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
334.40
3.4
2
4
66.76
4
methyl (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
460.40
1.4
5
11
176.12
5
(2S,3R,4S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
274.27
1
4
5
90.15
1
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