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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
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
271.31
2
2
3
58.56
5
Dehydroperilloxin
272.29
2.6
1
4
51.83
2
(2R,4bS)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene
272.50
6.5
0
0
0
1
Quinoline, 2-[2-(1,3-benzodioxol-5-yl)ethyl]-
277.30
4.3
0
3
31.35
3
(S)-5-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid methylester,95%
278.34
1.9
1
4
63.6
4
Murrayamine A
279.30
4.3
2
2
45.25
0
methyl 2-[(2R,4aR,8S,8aS)-8,8a-dihydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
282.37
2.1
2
4
66.76
3
1-Hydroxy-2-(hydroxymethyl)-3-methoxyanthracene-9,10-dione
284.26
2.1
2
5
83.83
2
Myrigalone H
286.32
3.7
2
4
66.76
5
(1S,2R,11S,12S,14S,17S,19R,21R)-2,6,6,14,19-pentamethylspiro[7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-11,2'-oxirane]-3,8,15,20-tetrone
442.50
0.2
0
8
108.5
0
2-methoxy-9-phenyl-1H-phenalen-1-one
286.30
5
0
2
26.3
2
(3aR,4S,6Z,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
278.30
-0.1
2
5
83.83
2
Pipoxide chlorohydrin
402.80
2.8
2
6
93.06
7
(E,4S)-4-hydroxy-4-[(1S,2R)-4-oxo-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
294.34
0.1
2
5
91.67
8
15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid
290.40
3.5
1
3
54.37
3
Manoyl oxide
290.50
5.9
0
1
9.23
1
7-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
295.30
2.8
1
4
39.72
1
1-[2-(Dimethylamino)ethyl]-4-methoxyphenanthren-3-OL
295.40
4.3
1
3
32.7
4
(R)-5-Hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
298.40
3.1
2
3
57.53
8
(6S)-3-Hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one
299.32
1.3
1
5
59
0
2,6,8-Trihydroxy-1-methoxy-3-methylanthracene-9,10-dione
300.26
2.7
3
6
104.06
1
Miltipolone
300.40
2.8
1
3
46.53
0
Continentalic acid
302.50
5.5
1
2
37.3
2
(2S,3R,4S,6S)-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),13,15(19)-triene-3,4-diol
303.35
1.1
2
5
62.16
0
Piperdardine
313.40
3.7
0
3
38.77
5
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