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ALA4879114 Name:
NA
Mol. Formula:
C28H29ClN4O4
M.W.:
521.02
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
110.71
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4878891 Name:
multiferone B
Mol. Formula:
C20H20O8
M.W.:
388.37
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
103.68
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4878281 Name:
NA
Mol. Formula:
C28H29ClN4O4
M.W.:
521.02
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
110.71
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4878105 Name:
NA
Mol. Formula:
C28H29ClN4O4
M.W.:
521.02
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
110.71
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4875882 Name:
NA
Mol. Formula:
C28H29ClN4O4
M.W.:
521.02
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
110.71
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4874437 Name:
NA
Mol. Formula:
C28H29ClN4O4
M.W.:
521.02
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
110.71
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4871580 Name:
boeravinone C
Mol. Formula:
C18H16O7
M.W.:
344.32
Type:
Unknown
AlogP:
1.64
Polar Surface Area:
105.45
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4868660 Name:
NA
Mol. Formula:
C28H29ClN4O4
M.W.:
521.02
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
110.71
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5287561 Name:
N-(1-benzylpiperidin-4-yl)-N-(4-phenylthiazol-2-yl
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Mol. Formula:
C24H27N3OS
M.W.:
405.57
Type:
---
AlogP:
5.22
Polar Surface Area:
36.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5286127 Name:
(9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9
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Mol. Formula:
C27H32F3N3O2
M.W.:
487.57
Type:
---
AlogP:
4.96
Polar Surface Area:
45.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5285937 Name:
(9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9
Show More⌵
Mol. Formula:
C27H34N2O2
M.W.:
418.58
Type:
---
AlogP:
4.55
Polar Surface Area:
32.78
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5285872 Name:
N-methyl-2-((1-methyl-1H-pyrazol-5-yl)(thiophen-2-
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Mol. Formula:
C20H25N3OS
M.W.:
355.51
Type:
---
AlogP:
3.76
Polar Surface Area:
30.29
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5284877 Name:
11-Phenylakuammine
Mol. Formula:
C28H30N2O4
M.W.:
458.56
Type:
---
AlogP:
3.69
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5284021 Name:
2-methyl-1'-phenethyl-2,3-dihydro-1H-spiro[isoquin
Show More⌵
Mol. Formula:
C22H26N2O
M.W.:
334.46
Type:
---
AlogP:
3.35
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5283278 Name:
3-(1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piper
Show More⌵
Mol. Formula:
C20H22N4O
M.W.:
334.42
Type:
---
AlogP:
3.35
Polar Surface Area:
54.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5282233 Name:
(5S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)prop
Show More⌵
Mol. Formula:
C29H36N6O6
M.W.:
564.64
Type:
---
AlogP:
-0.94
Polar Surface Area:
205.74
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5281919 Name:
11-(3'-Furanyl)-akuammine
Mol. Formula:
C26H28N2O5
M.W.:
448.52
Type:
---
AlogP:
3.28
Polar Surface Area:
75.38
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5281430 Name:
N-benzyl-N-methyl-2-((1-methyl-1H-pyrazol-5-yl)(th
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Mol. Formula:
C19H23N3OS
M.W.:
341.48
Type:
---
AlogP:
3.72
Polar Surface Area:
30.29
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5280172 Name:
N-1-Ethyl Psuedoakuammigine
Mol. Formula:
C23H28N2O3
M.W.:
380.49
Type:
---
AlogP:
2.70
Polar Surface Area:
42.01
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5280075 Name:
2-ethyl-1'-phenethyl-2,3-dihydro-1H-spiro[isoquino
Show More⌵
Mol. Formula:
C23H28N2O
M.W.:
348.49
Type:
---
AlogP:
3.74
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
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