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Type:
Unknown
AlogP:
6.46
Polar Surface Area:
41.13
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4098970 Name:
(2R,4R)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C25H28N6O3
M.W.:
460.54
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4096328 Name:
(E)-N-(2-aminophenyl)-3-(1-((3R,5R)-5-(hydroxymeth
Show More⌵
Mol. Formula:
C24H28N6O2
M.W.:
432.53
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4095285 Name:
(2S,4S)-4-(4-((E)-3-((2-aminophenyl)amino)-3-oxopr
Show More⌵
Mol. Formula:
C23H24N6O3
M.W.:
432.48
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4104078 Name:
(E)-N-(2-aminophenyl)-3-(1-((3S,5R)-5-(hydroxymeth
Show More⌵
Mol. Formula:
C25H30N6O2
M.W.:
446.56
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4103969 Name:
(2S,4R)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C25H28N6O3
M.W.:
460.54
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4103036 Name:
(2S,4S)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C25H28N6O3
M.W.:
460.54
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4092137 Name:
(E)-N-(2-aminophenyl)-3-(1-((3S,5R)-1-benzyl-5-(hy
Show More⌵
Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4091229 Name:
(E)-N-(2-aminophenyl)-3-(1-((3R,5S)-5-(hydroxymeth
Show More⌵
Mol. Formula:
C25H30N6O2
M.W.:
446.56
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4088817 Name:
(E)-N-(2-aminophenyl)-3-(1-((3S,5S)-1-benzyl-5-(hy
Show More⌵
Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4087586 Name:
(2R,4S)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C23H24N6O3
M.W.:
432.48
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4086170 Name:
(E)-N-(2-aminophenyl)-3-(1-((3R,5R)-1-benzyl-5-(hy
Show More⌵
Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4085088 Name:
(2S,4R)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C23H24N6O3
M.W.:
432.48
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4070300 Name:
(E)-N-(2-aminophenyl)-3-(1-((3R,5S)-5-(hydroxymeth
Show More⌵
Mol. Formula:
C24H28N6O2
M.W.:
432.53
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4062411 Name:
(2R,4R)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C23H24N6O3
M.W.:
432.48
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4061632 Name:
(E)-N-(2-aminophenyl)-3-(1-((3S,5S)-5-(hydroxymeth
Show More⌵
Mol. Formula:
C25H30N6O2
M.W.:
446.56
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4060596 Name:
(E)-N-(2-aminophenyl)-3-(1-((3S,5S)-5-(hydroxymeth
Show More⌵
Mol. Formula:
C24H28N6O2
M.W.:
432.53
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4084121 Name:
(2R,4S)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C25H28N6O3
M.W.:
460.54
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4083442 Name:
(E)-N-(2-aminophenyl)-3-(1-((3R,5S)-1-benzyl-5-(hy
Show More⌵
Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
109.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4080937 Name:
(2R,4R)-4-(4-((E)-3-(2-aminophenylamino)-3-oxoprop
Show More⌵
Mol. Formula:
C24H26N6O3
M.W.:
446.51
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
126.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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