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ALA4474272 Name:
3beta-O-trans-Feruloyl-2alpha,19alpha-dihydroxyurs
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Mol. Formula:
C40H56O8
M.W.:
664.88
Type:
Unknown
AlogP:
7.15
Polar Surface Area:
133.52
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4558600 Name:
2alpha-acetoxy-3beta-O-transferuloyl-19alpha-hydro
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Mol. Formula:
C42H58O9
M.W.:
706.92
Type:
Unknown
AlogP:
7.72
Polar Surface Area:
139.59
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4566900 Name:
N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethyl)ph
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Mol. Formula:
C20H17F3N6O
M.W.:
414.39
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
88.49
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4061357 Name:
6,5-dichloroindirubin-3'-oxime
Mol. Formula:
C16H9Cl2N3O2
M.W.:
346.17
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
73.72
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4544238 Name:
[4-[7-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2
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Mol. Formula:
C25H24N4O2
M.W.:
412.49
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
71.11
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4562585 Name:
N-(4-ethylsulfanyl-3-pyridyl)-2-(4-pyrrolidin-1-yl
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Mol. Formula:
C24H24N6OS
M.W.:
444.56
Type:
Unknown
AlogP:
4.98
Polar Surface Area:
86.80
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3747661 Name:
1-(5-acetyl-4-methylthiazol-2-yl)-3-(4-methoxybenz
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Mol. Formula:
C15H17N3O3S
M.W.:
319.39
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
80.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3746152 Name:
5-(3-chlorophenyl)-1,3-diphenyl-1H-benzo[f][1,2,4]
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Mol. Formula:
C26H18ClN3
M.W.:
407.90
Type:
Small molecule
AlogP:
6.69
Polar Surface Area:
27.96
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3746095 Name:
ethyl 2-(2,3-diphenyl-1,2,4-thiadiazolidin-5-ylide
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Mol. Formula:
C18H20BrN3O2S
M.W.:
422.35
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
53.93
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3747426 Name:
N-(2,3-diphenyl-1,2,4-thiadiazolidin-5-ylidene)-1-
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Mol. Formula:
C21H21Br2N3S
M.W.:
507.30
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
27.63
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5190086 Name:
3-(1-ethyl-5-fluoro-1H-indol-3-yl)-4-(3-(2-(fluoro
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Mol. Formula:
C22H18F2N2O3
M.W.:
395.40
Type:
---
AlogP:
3.72
Polar Surface Area:
60.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5176600 Name:
3-amino-6-(4-((4-(methyl-11C)piperazin-1-yl)sulfon
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Mol. Formula:
C21H23N7O3S
M.W.:
452.53
Type:
---
AlogP:
1.31
Polar Surface Area:
134.41
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5174733 Name:
1-(7-(methoxy-11C)quinolin-4-yl)-3-(3-(trifluorome
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Mol. Formula:
C18H14F3N3O2
M.W.:
360.32
Type:
---
AlogP:
4.91
Polar Surface Area:
63.25
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4435779 Name:
N-(3-imidazol-1-ylpropyl)-2-[4-(trifluoromethyl)ph
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Mol. Formula:
C19H17F3N6O2S
M.W.:
450.45
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
105.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3338886 Name:
8-methoxy-1-(4-methoxyphenyl)-3H-pyridazino[4,5-b]
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Mol. Formula:
C18H15N3O3
M.W.:
321.34
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
80.00
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3338885 Name:
8-methoxy-1-phenyl-3H-pyridazino[4,5-b]indol-4(5H)
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Mol. Formula:
C17H13N3O2
M.W.:
291.31
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
70.77
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3335124 Name:
4-benzamido-N-((trans)-4-methoxycyclohexyl)-1H-pyr
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Mol. Formula:
C18H22N4O3
M.W.:
342.40
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
96.11
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3335123 Name:
trans-4-(2-(2,6-Dichlorophenyl)acetamido)-N-(4-met
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Mol. Formula:
C19H22Cl2N4O3
M.W.:
425.32
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
96.11
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3335122 Name:
trans-N-(4-Methoxycyclohexyl)-4-(2-(2-methoxypheny
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Mol. Formula:
C20H26N4O4
M.W.:
386.45
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
105.34
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3335121 Name:
trans-4-(2-(2-Fluorophenyl)acetamido)-N-(4-methoxy
Show More⌵
Mol. Formula:
C19H23FN4O3
M.W.:
374.42
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
96.11
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
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