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ALA5196088 Name:
Mol. Formula:
C22H26N6O3
M.W.:
422.49
Type:
---
AlogP:
1.60
Polar Surface Area:
84.23
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5204528 Name:
Mol. Formula:
C24H23N5O3
M.W.:
429.48
Type:
---
AlogP:
3.15
Polar Surface Area:
89.78
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5193635 Name:
Mol. Formula:
C25H25N5O3
M.W.:
443.51
Type:
---
AlogP:
3.71
Polar Surface Area:
89.78
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5191892 Name:
Mol. Formula:
C24H24N6O3
M.W.:
444.50
Type:
---
AlogP:
3.10
Polar Surface Area:
102.67
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5172035 Name:
Mol. Formula:
C21H23N5O4
M.W.:
409.45
Type:
---
AlogP:
1.69
Polar Surface Area:
90.22
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.31
Polar Surface Area:
90.99
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5091582 Name:
N4-(2-(1H-Imidazol-5-yl)ethyl)-N2-(3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrShow More⌵
Mol. Formula:
C15H17F3N8
M.W.:
366.35
Type:
Unknown
AlogP:
2.67
Polar Surface Area:
96.34
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5090046 Name:
N-(3-((4-((3-(Cyclobutanecarboxamido)propyl)amino)-5-cyclopropylpyrimidin-2Show More⌵
Mol. Formula:
C26H35N7O2
M.W.:
477.61
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
111.28
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5088930 Name:
N4-(2-(1H-Imidazol-4-yl)ethyl)-5-bromo-N2-(3-(morpholinomethyl)phenyl)pyrimShow More⌵
Mol. Formula:
C20H24BrN7O
M.W.:
458.36
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
90.99
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5087558 Name:
CK156
Mol. Formula:
C21H25N5O3
M.W.:
395.46
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
89.78
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5087433 Name:
N-(3-((2-((3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-amino)pyrimidShow More⌵
Mol. Formula:
C18H24F3N7O
M.W.:
411.43
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
96.76
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5085430 Name:
N-(3-((5-Bromo-4-((3-(cyclobutanecarboxamido)propyl)amino)-pyrimidin-2-yl)aShow More⌵
Mol. Formula:
C23H30BrN7O2
M.W.:
516.44
Type:
Unknown
AlogP:
4.33
Polar Surface Area:
111.28
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5084750 Name:
4-(((5-Cyclopropyl-2-((3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)amShow More⌵
Mol. Formula:
C20H22F3N7O2S
M.W.:
481.50
Type:
Unknown
AlogP:
3.42
Polar Surface Area:
127.82
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
96.76
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5079601 Name:
N-(3-((5-Cyclopropyl-2-((3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)Show More⌵
Mol. Formula:
C21H28F3N7O
M.W.:
451.50
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
96.76
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5076165 Name:
N4-(2-(1H-Imidazol-5-yl)ethyl)-5-bromo-N2-(3-methyl-1-(2,2,2-trifluoroethylShow More⌵
Mol. Formula:
C15H16BrF3N8
M.W.:
445.25
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
96.34
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5075360 Name:
N-(3-((4-((3-(Cyclobutanecarboxamido)propyl)amino)pyrimidin-2-yl)amino)phenShow More⌵
Mol. Formula:
C23H31N7O2
M.W.:
437.55
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
111.28
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4799235 Name:
2-((6-(3-(Methylthio)phenyl)thieno[2,3-d]pyrimidin-4-yl)-thio)acetic Acid
Mol. Formula:
C15H12N2O2S3
M.W.:
348.47
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
63.08
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4796519 Name:
2-((6-(4-(Methylsulfinyl)phenyl)thieno[3,2-d]pyrimidin-4-yl)thio)acetic AciShow More⌵
Mol. Formula:
C15H12N2O3S3
M.W.:
364.47
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
86.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4794509 Name:
2-((6-(4-Vinylphenyl)thieno[3,2-d]pyrimidin-4-yl)thio)acetic Acid
Mol. Formula:
C16H12N2O2S2
M.W.:
328.42
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
63.08
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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