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ALA4744806 Name:
Petrosamide B
Mol. Formula:
C41H56N6O10
M.W.:
792.93
Type:
Unknown
AlogP:
1.31
Polar Surface Area:
223.78
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4760063 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C28H30N6O3
M.W.:
498.59
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
104.54
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4758350 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C29H30N6O2S
M.W.:
526.67
Type:
Unknown
AlogP:
5.86
Polar Surface Area:
84.31
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4782665 Name:
Petrosamide A
Mol. Formula:
C40H54N6O10
M.W.:
778.90
Type:
Unknown
AlogP:
0.92
Polar Surface Area:
223.78
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4781799 Name:
N-(5-((5-chloro-4-(1-cyclopropyl-1H-indol-3-yl)pyr
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Mol. Formula:
C29H31ClN6O2S
M.W.:
563.13
Type:
Unknown
AlogP:
6.62
Polar Surface Area:
84.31
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4752548 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C28H29N5O4S
M.W.:
531.64
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
113.36
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4796376 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C29H32N6O2S
M.W.:
528.68
Type:
Unknown
AlogP:
6.11
Polar Surface Area:
84.31
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4796010 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C29H32N6O3S
M.W.:
544.68
Type:
Unknown
AlogP:
4.98
Polar Surface Area:
107.37
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4793880 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C29H32N6O2S
M.W.:
528.68
Type:
Unknown
AlogP:
5.96
Polar Surface Area:
84.31
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4787215 Name:
N-(5-((4-(1-cyclopropyl-1H-indol-3-yl)pyrimidin-2-
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Mol. Formula:
C29H32N6O3S
M.W.:
544.68
Type:
Unknown
AlogP:
5.12
Polar Surface Area:
107.37
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4857187 Name:
N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-(7-(
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Mol. Formula:
C44H47ClFN9O7
M.W.:
868.37
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
195.27
HBA:
12
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4879238 Name:
N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-((2-
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Mol. Formula:
C39H37ClFN9O7
M.W.:
798.23
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
195.27
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4878992 Name:
N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-(5-(
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Mol. Formula:
C42H43ClFN9O7
M.W.:
840.31
Type:
Unknown
AlogP:
4.89
Polar Surface Area:
195.27
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5281227 Name:
N-(6-bromonaphthalen-2-yl)-6-fluoroquinazolin-4-am
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Mol. Formula:
C18H11BrFN3
M.W.:
368.21
Type:
---
AlogP:
5.43
Polar Surface Area:
37.81
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5281184 Name:
6-fluoro-N-(4-(pyridin-3-yl)phenethyl)quinazolin-4
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Mol. Formula:
C21H17FN4
M.W.:
344.39
Type:
---
AlogP:
4.49
Polar Surface Area:
50.70
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5280170 Name:
6-fluoro-N-(2-(3'-methoxy-[1,1'-biphenyl]-4-yl)eth
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Mol. Formula:
C23H20FN3O
M.W.:
373.43
Type:
---
AlogP:
5.10
Polar Surface Area:
47.04
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5279831 Name:
N-(2-([1,1'-biphenyl]-3-yl)ethyl)-6-fluoroquinazol
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Mol. Formula:
C22H18FN3
M.W.:
343.41
Type:
---
AlogP:
5.09
Polar Surface Area:
37.81
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5279821 Name:
6-fluoro-N-(4-(4-fluorophenoxy)phenethyl)quinazoli
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Mol. Formula:
C22H17F2N3O
M.W.:
377.39
Type:
---
AlogP:
5.35
Polar Surface Area:
47.04
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5279674 Name:
N-(3-bromophenethyl)-6-fluoroquinazolin-4-amine
Mol. Formula:
C16H13BrFN3
M.W.:
346.20
Type:
---
AlogP:
4.19
Polar Surface Area:
37.81
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5279573 Name:
Ageleste B
Mol. Formula:
C20H22Br2N4O6
M.W.:
574.23
Type:
---
AlogP:
1.85
Polar Surface Area:
142.38
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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