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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
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
462.50
-0.3
6
10
158.3
9
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
462.50
-0.3
6
10
158.3
9
(2R)-2-(3,4-dimethoxyphenyl)-2-methoxy-N-methylethanamine
225.28
1.1
1
4
39.72
6
Isopropyl 3-methyl-2-butenoate
142.20
2.4
0
2
26.3
3
Kuwanon F
422.50
5.3
3
6
96.22
4
1-Tritriacontanol
480.90
16.5
1
1
20.23
31
6''-O-Acetyldaidzin
458.40
0.7
4
10
155.89
6
Crotananine
323.40
1.1
1
6
76.07
0
[5-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate
550.60
3
1
10
130.12
10
4H-Dibenzo(de,g)quinoline-1,4-diol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (4R,6aS)-
357.40
1.9
2
6
71.39
3
Amyl methyl sulfide
118.24
2.7
0
1
25.3
4
(5R,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
352.30
3.2
0
6
63.22
1
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
204.26
2.8
1
2
29.46
1
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline
193.24
1.3
1
3
30.49
2
9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-
416.40
1.4
5
9
153.75
2
2-Allylphenol
134.17
2.7
1
1
20.23
2
beta-D-Glucopyranoside, (2E)-3,7-dimethyl-2,6-octadien-1-yl 6-O-alpha-L-arabinofuranosyl-
448.50
-0.2
6
10
158.3
10
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
448.50
-0.2
6
10
158.3
10
xi-Linalool 3-[rhamnosyl-(1->6)-glucoside]
462.50
-0.5
6
10
158.3
9
4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline-4,5(6H)-dione,1,2-dimethoxy-6-methyl-
365.30
3.2
0
6
74.3
2
3-Oxo-beta-damascone
206.28
1.8
0
2
34.14
2
4-(3-Hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one
206.28
0.7
1
2
37.3
1
Vitispirane A
192.30
3.1
0
1
9.23
0
(2S,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
192.30
3.1
0
1
9.23
0
(1S,4R,6R,7R,12R,13S,16R,18R)-6,18-dihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one
348.40
2.6
2
5
75.99
0
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