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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
Yqqjzghnuobyeg-cqdkdkbssa-
295.21
4.6
0
1
9.23
1
Anhydropisatin
296.27
3.3
0
5
50.06
1
(8R,13aS)-3-methoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b][2,7]naphthyridin-2-ol
296.40
2.3
1
4
45.59
1
(+)-Ventiloquinone L methyl ether
302.32
1.9
0
5
61.83
2
(1S,3R,6R,7S,10S,11R,13R,15R)-3,10,15-trimethyl-6-propan-2-yl-14,16-dioxapentacyclo[9.4.1.01,11.03,7.013,15]hexadecane
304.50
4.9
0
2
25.06
1
Arachidonic acid-carboxy-14C
306.50
6.3
1
2
37.3
14
4,5,6-Trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaen-8-one
311.30
2.6
0
4
49.69
3
Oleuropein (dialdehyde form)
320.30
1.1
2
6
100.9
10
(1S,12S)-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
325.40
2.8
1
5
51.16
1
(1S,2S,4S,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
326.40
1.3
0
4
51.13
2
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxyoxane-3,4,5-triol
332.39
-0.1
5
7
119.61
4
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid
344.50
7.9
2
3
57.53
13
Chloroisosulochrin dehydrate
348.70
4
1
6
85.97
3
(+)-Dehydrodiconiferyl alcohol
358.40
1.9
3
6
88.38
6
2-[6-(1,3-Benzodioxol-5-yl)hexyl]-1-methylquinolin-4-one
363.40
5.7
0
4
40.46
7
(3S,4R)-3-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]-4-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
370.40
3.1
1
7
83.45
4
(2R,3R,4S,5S,6R)-2-[(2R,3S)-2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
376.36
-2.2
7
10
169.3
7
1-Hydroxy-2,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione
358.30
3.3
1
7
91.29
4
(4S)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-5,5-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
402.40
-2.3
6
9
156.91
6
(2S,3R,4R,5E,7S)-3,4,7-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
244.28
0
3
5
86.99
2
Dulcidiol
426.60
5.6
2
4
66.76
4
(3S,3aR,5R,8S,8aS)-8-hydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one
432.50
-1.3
6
9
156.91
5
1-Hexen-3-yl acetate
142.20
2
0
2
26.3
5
Schoenoside
434.40
1.1
6
10
162.21
5
[(1aR,2'S,3aS,4S,5S,5'R,6S,7R,7aS,7bS)-7-acetyloxy-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate
448.50
2.2
1
8
107.73
5
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