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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
Stemofuran K
282.30
4.7
1
3
42.6
2
13-Epimanool
290.50
5.7
1
1
20.23
4
(3aR,6R,7R,8aS)-6-hydroxy-7-isopropyl-4-methoxycarbonyl-3,3a,6,7,8,8a-hexahydroazulene-1-carboxylic acid
294.34
1.8
2
5
83.83
4
Vitetrifolin G
304.50
3.9
2
2
40.46
4
(2S,6S)-4-Methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-one
313.30
2.2
0
5
48
1
(4e)-1,5-Bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol
314.40
3.1
3
4
69.92
7
Acronyculatin E
316.40
4.6
1
4
55.76
4
1-(3-I(2)-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone
330.29
-1.4
7
9
167.91
3
(5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
336.80
0.5
3
5
90.9
3
(5S)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
344.40
2.7
3
5
86.99
9
[(2S,3S,4aS,8R,8aS)-3-hydroxy-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] acetate
346.50
5.3
1
3
46.53
5
Dipteryxic acid
348.40
3.1
2
5
83.83
1
(2S,3R,4S,5S,6R)-2-[(3S,6R)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
350.40
-1.2
6
8
139.84
8
(16Z,19Z)-16,17,19,20-Tetradehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
352.40
3
2
4
65.56
3
(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
356.40
3
0
5
46.15
5
Dihydroretrofractamide B
357.50
6.2
1
3
47.56
11
Chiricanine C
362.50
7.7
1
2
29.46
7
methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate
372.40
-0.4
4
9
134.91
8
(1S,2S,5S,6S,8S,9R,11R,12S,13R)-8,11-dihydroxy-7-(hydroxymethyl)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
373.50
2.6
3
5
81
1
(3S,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
386.40
3.9
0
6
63.22
8
5-Dehydroepisterol
396.60
8
1
1
20.23
5
pseudolaric acid G
404.50
1.6
2
7
110.13
5
Emeniveol
405.60
7.4
2
1
36.02
5
Isobutyl propionate
130.18
2.2
0
2
26.3
4
norcaesalpinin B
418.50
2.6
1
7
103.04
4
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