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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
alpha-Cadinene
204.35
4.1
0
0
0
1
(+)-alpha-Bulgarene
204.35
4.1
0
0
0
1
delta-Cadinene
204.35
3.8
0
0
0
1
(-)-delta-Cadinene
204.35
3.8
0
0
0
1
(+)-delta-Amorphene
204.35
3.8
0
0
0
1
N-[1-[(13E)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-methylpentanamide
631.80
5.3
3
6
120.08
10
(1S,11R)-14-methoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaen-15-ol
325.40
2.7
1
5
51.16
1
16-Methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-ol
327.40
1.6
1
5
51.16
1
(2S,4S)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
313.40
2.3
0
4
38.77
2
(2S,4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
313.40
2.3
0
4
38.77
2
18alpha-Oleanane
412.70
11.6
0
0
0
0
alpha-Amyrenone
424.70
8.7
0
1
17.07
0
beta-Amyrone
424.70
8.8
0
1
17.07
0
6,7-Dihydro-2,6-dimethyl-5H-cyclopentapyrazine
148.20
1.3
0
2
25.78
0
Annopodine
291.40
1.3
1
4
49.77
2
Antiogenin
406.50
-0.1
4
6
107.22
1
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4R,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
362.33
-3.2
6
10
161.6
3
CID 12306731
308.50
5.1
2
2
40.46
4
NoName_4032
246.35
1.4
0
2
23.55
0
Aphyllidine
246.35
1.4
0
2
23.55
0
i17-Oxo-alpha-Isosparteine
248.36
1.7
0
2
23.55
0
(1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
248.36
1.7
0
2
23.55
0
L-Apiose
150.13
-2.2
4
5
90.15
1
Agn-PC-0nihb1
224.34
0.9
1
3
32.34
4
(R)-(+)-Anatabine
160.22
0.9
1
2
24.92
1
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