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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
Ardisiphenol C
402.60
8.3
2
4
66.76
16
cis-Myrtanol
154.25
2.5
1
1
20.23
1
4-Cumylphenol
212.29
3.7
1
1
20.23
2
3'-Geranyl-2',3,4,4'-tetrahydroxychalcone
408.50
6.6
4
5
97.99
8
methyl (15R,16R,20R)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
412.50
2.7
1
6
73.02
4
(8R,9S)-8-benzyl-5,8,9-trihydroxy-6-methyl-4-phenyl-9H-furo[2,3-h]chromen-2-one
416.40
3.2
3
6
100.13
3
(2R,3R,4S,5S,6R)-2-[[(1S,1aR,3aR,4S,7R,7aS,7bS)-4-hydroxy-1-(hydroxymethyl)-1,7-dimethyl-2,3,3a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
-0.1
6
8
139.84
5
Cimicifugic acid D
418.30
1.5
6
10
181.82
9
4,5,14,15,16-Pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,10-diol
418.50
3.7
2
7
86.61
5
Cyclomulberrin
420.50
5.8
3
6
100.13
3
(2s,3s)-2,3-Bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,4-butanediol
422.50
2.5
4
8
117.84
11
eriosemaone A
422.50
5.2
3
6
96.22
3
Uncinoside B
424.40
0.2
4
10
155.89
5
(21I(2))-Aa(2)-Neogammacer-22(29)-en-3-one
424.70
9.6
0
1
17.07
1
(2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,8-dione
426.70
8.4
0
2
34.14
6
(6R,8S)-octacosane-6,8-diol
426.80
12.1
2
2
40.46
25
Secasterol
430.70
6.6
2
3
57.53
5
Salireposide
406.40
0.7
5
9
145.91
7
Yadanziolide B
442.40
-3.9
7
11
194.21
1
(1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aS,13bR)-5a-(hydroxymethyl)-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
442.70
8.5
2
2
40.46
2
Cubebin
356.40
3.4
1
6
66.38
4
(1S,9R,10R,11R,12R,14R,17S)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.01,11.03,8.012,14]nonadeca-3,5,7-triene-4,6-dicarbaldehyde
454.60
7.1
2
5
83.83
4
(3S,6R)-6-propylpiperidin-3-ol
143.23
1
2
2
32.26
2
(1S,2R,5R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
154.25
2.1
1
1
20.23
1
Cleroindicin E
158.19
-0.3
2
3
49.69
0
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