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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
Anhydroverlotorin
246.30
1.4
0
3
43.37
0
4-Hydroxy-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaen-3-one
327.40
2.8
1
5
59
2
Vwjsnopypvuarg-bpnnxiafsa-
486.70
3.8
3
5
86.99
2
(3S)-3-hydroxy-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,10-dione
383.40
1.7
1
7
94.53
2
Narceinone
459.40
0.2
1
10
120.83
10
N,N'-bis(3-hydroxy-5-methylphenyl)oxamide
300.31
2.4
4
4
98.66
2
[(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
346.40
0.9
1
6
89.9
4
9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-4-one
246.30
1.4
0
3
38.83
0
Ludartin
246.30
1.4
0
3
38.83
0
Premnaspirodiene
204.35
5.4
0
0
0
1
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
346.40
2.4
1
5
72.83
4
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
346.40
2.4
1
5
72.83
4
(3aS,6E,10E,11aS)-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione
246.30
1.8
0
3
43.37
0
4-Methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-f]isoquinolin-6-one
235.24
1.2
0
4
48
1
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-2,8-diacetyloxy-3,6-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
492.60
1.6
2
9
136.43
6
1-Methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid
330.40
4.1
2
4
74.6
3
(1S,2R,4S,5R,8S,9R,12S,13R)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one
282.33
1.8
1
5
64.99
0
Ajugamarin F4
534.60
3.6
0
9
117.73
12
(1S,2S,7R,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
542.60
0.5
5
11
164.37
5
Ajugamarin A2
590.70
2.8
0
11
144.03
13
(1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
329.40
3
2
5
62.16
4
(3aR,6R,8aR,9aR)-6-hydroxy-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
248.32
1.6
1
3
46.53
0
(3S,3aR,5S,7S,8aR,9aR)-7-hydroxy-3,5,8a-trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
250.33
2.1
1
3
46.53
0
15(R)-Hete
320.50
5.1
2
3
57.53
14
10-Methylphenazin-2(10H)-one
210.23
1.6
0
3
34.89
0
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