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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
Cnidilide
194.27
3.2
0
2
26.3
3
Hemiphloin
434.40
-0.1
7
10
177.14
3
Nordamnacanthal
268.22
2.7
2
5
91.67
1
4-[(3S,3aR,6S,6aR)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
494.50
2.3
5
9
138.07
4
Questin
284.26
3
2
5
83.83
1
Methyl isoplatydesmine, 4
273.33
2.5
0
4
40.46
2
Guttic acid
628.70
7.3
2
8
119.36
8
5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
440.70
2
2
40.46
8
(3S,4R,4aS,6aS,6bR,8aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
428.70
10.1
1
1
20.23
0
2,3-Dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)benzene-1,4-diol
751.20
18.1
2
2
40.46
26
(1S,4S,5R,13R,17S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,2,10-triol
474.70
5.9
3
4
69.92
0
2-(3-Amino-2,4-dibromo-6-hydroxy-phenyl)acetic acid
324.95
1.7
3
4
83.55
2
Neodiospyrin
374.30
3.7
2
6
108.74
1
5-Hydroxy-7-methyl-tetralin-1,4-dione
190.19
1.7
1
3
54.37
0
Isocytisoside
446.40
0.5
6
10
170.05
4
6-Formyl-7-methoxycoumarin
204.18
1.3
0
4
56.51
2
Isoflavanone
224.25
3.1
0
2
26.3
1
5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
340.28
-0.1
5
9
149.82
2
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
450.40
0.4
7
11
186.37
3
2-Acetonyl-5-hydroxy-3-(3-hydroxy-3-methyl-butyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
386.40
2.9
2
6
96.97
5
Dronabinol
314.50
7
1
2
29.46
4
Ethyl 2-hydroxyquinoline-4-carboxylate
217.22
1.3
1
3
59.16
3
Desoxymorellin
530.60
6.7
1
6
82.06
4
Isomorellin
544.60
5.3
1
7
99.13
5
Isomorellinol
546.60
5.4
2
7
102.29
5
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