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WF-47-JS03 Name:
3-(3,4-dimethoxyphenyl)-N5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-phenylpyShow More⌵
Mol. Formula:
C30H38N6O2
M.W.:
514.67
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
89.94
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4643578 Name:
methyl 4-(4-(7-amino-5-((1,2,2,6,6-pentamethylpiperidin-4-yl)amino)-6-phenyShow More⌵
Mol. Formula:
C35H44N8O3
M.W.:
624.79
Type:
Unknown
AlogP:
5.23
Polar Surface Area:
121.33
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4642409 Name:
3-(3,4-dimethoxyphenyl)-5-(3-(dimethylamino)propoxy)-6-phenylpyrazolo[1,5-aShow More⌵
Mol. Formula:
C25H29N5O3
M.W.:
447.54
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
87.14
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4640989 Name:
3-(3,4-dimethoxyphenyl)-6-phenyl-5-(piperidin-4-yloxy)pyrazolo[1,5-a]pyrimiShow More⌵
Mol. Formula:
C25H27N5O3
M.W.:
445.52
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
95.93
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4639022 Name:
(4-(7-amino-5-((1,2,2,6,6-pentamethylpiperidin-4-yl)amino)-6-phenylpyrazoloShow More⌵
Mol. Formula:
C34H44N8O3S
M.W.:
644.85
Type:
Unknown
AlogP:
4.43
Polar Surface Area:
129.17
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4638840 Name:
3-(3,4-dimethoxyphenyl)-N5-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]Show More⌵
Mol. Formula:
C26H30N6O2
M.W.:
458.57
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
89.94
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4636800 Name:
3-(3,4-dimethoxyphenyl)-N5-(3-(dimethylamino)propyl)-6-phenylpyrazolo[1,5-aShow More⌵
Mol. Formula:
C25H30N6O2
M.W.:
446.56
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
89.94
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4636056 Name:
(4-(7-amino-5-((1,2,2,6,6-pentamethylpiperidin-4-yl)amino)-6-phenylpyrazoloShow More⌵
Mol. Formula:
C34H41N7O2
M.W.:
579.75
Type:
Unknown
AlogP:
5.32
Polar Surface Area:
101.02
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3798584 Name:
3-{7-[3-(1,1-Dioxo-1lambda'6-thiomorpholin-4-yl)-propoxy]-6-methoxy-quinazoShow More⌵
Mol. Formula:
C23H27FN4O5S
M.W.:
490.56
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
113.88
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3797561 Name:
3-{7-[2-(1,1-Dioxo-1lambda'6-thiomorpholin-4-yl)-ethoxy]-6-methoxy-quinazolShow More⌵
Mol. Formula:
C22H25FN4O5S
M.W.:
476.53
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
113.88
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3799933 Name:
4-fluoro-3-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-ylamino)-2-methylShow More⌵
Mol. Formula:
C23H27FN4O4
M.W.:
442.49
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
88.97
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3797688 Name:
4-fluoro-3-(6-methoxy-7-(2-morpholinoethoxy)quinazolin-4-ylamino)-2-methylpShow More⌵
Mol. Formula:
C22H25FN4O4
M.W.:
428.46
Type:
Small molecule
AlogP:
3.25
Polar Surface Area:
88.97
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3800348 Name:
4-fluoro-3-(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-ylaShow More⌵
Mol. Formula:
C24H30FN5O3
M.W.:
455.53
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
82.98
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3798442 Name:
4-fluoro-3-(6-methoxy-7-(2-(4-methylpiperazin-1-yl)ethoxy)quinazolin-4-ylamShow More⌵
Mol. Formula:
C23H28FN5O3
M.W.:
441.51
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
82.98
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3799971 Name:
3-(7-(3-(1,4-diazepan-1-yl)propoxy)-6-methoxyquinazolin-4-ylamino)-4-fluoroShow More⌵
Mol. Formula:
C24H30FN5O3
M.W.:
455.53
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
91.77
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3799969 Name:
3-(7-(2-(1,4-diazepan-1-yl)ethoxy)-6-methoxyquinazolin-4-ylamino)-4-fluoro-Show More⌵
Mol. Formula:
C23H28FN5O3
M.W.:
441.51
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
91.77
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3797261 Name:
4-fluoro-3-(6-methoxy-7-(3-(piperazin-1-yl)propoxy)quinazolin-4-ylamino)-2-Show More⌵
Mol. Formula:
C23H28FN5O3
M.W.:
441.51
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
91.77
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3798033 Name:
4-fluoro-3-(6-methoxy-7-(2-(piperazin-1-yl)ethoxy)quinazolin-4-ylamino)-2-mShow More⌵
Mol. Formula:
C22H26FN5O3
M.W.:
427.48
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
91.77
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3799244 Name:
4-fluoro-3-(6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-ylamino)-2-Show More⌵
Mol. Formula:
C24H29FN4O3
M.W.:
440.52
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
79.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3799867 Name:
4-fluoro-3-(6-methoxy-7-(2-(piperidin-1-yl)ethoxy)quinazolin-4-ylamino)-2-mShow More⌵
Mol. Formula:
C23H27FN4O3
M.W.:
426.49
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
79.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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