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ALA4095434 Name:
2-(4-((1r,4r)-4-(4-amino-5-(4-phenoxyphenyl)-7H-py
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Mol. Formula:
C30H36N6O2
M.W.:
512.66
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
92.67
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4103186 Name:
(S)-2-(((1r,4S)-4-(4-Amino-5-(4-phenoxyphenyl)-7H-
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Mol. Formula:
C32H40N6O2
M.W.:
540.71
Type:
Small molecule
AlogP:
6.05
Polar Surface Area:
98.30
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4093003 Name:
(S)-2-(((1r,4S)-4-(4-Amino-5-(4-phenoxyphenyl)-7H-
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Mol. Formula:
C30H35N5O3
M.W.:
513.64
Type:
Small molecule
AlogP:
6.05
Polar Surface Area:
115.29
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4087733 Name:
2-((1r,4r)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrro
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Mol. Formula:
C26H28N6O2
M.W.:
456.55
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
121.08
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4085262 Name:
(S)-2-(((1r,4S)-4-(4-Amino-5-(4-phenoxyphenyl)-7H-
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Mol. Formula:
C31H38N6O2
M.W.:
526.69
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
107.09
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4073943 Name:
(S)-Ethyl 2-(((1r,4S)-4-(4-amino-5-(4-phenoxypheny
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Mol. Formula:
C32H39N5O3
M.W.:
541.70
Type:
Small molecule
AlogP:
6.52
Polar Surface Area:
104.29
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4071932 Name:
5-(4-phenoxyphenyl)-7-((1r,4r)-4-(pyridin-4-ylmeth
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Mol. Formula:
C30H30N6O
M.W.:
490.61
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
90.88
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4063307 Name:
7-((1r,4r)-4-(3-methyl-5,6-dihydro-[1,2,4]triazolo
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Mol. Formula:
C30H32N8O
M.W.:
520.64
Type:
Small molecule
AlogP:
5.37
Polar Surface Area:
99.91
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4061078 Name:
(S)-3-((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-p
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Mol. Formula:
C28H30N6O2
M.W.:
482.59
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
107.09
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4066401 Name:
2-((1r,4r)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrro
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Mol. Formula:
C26H27N5O3
M.W.:
457.53
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
115.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4065334 Name:
(S)-2-(((1r,4S)-4-(4-Amino-5-(4-phenoxyphenyl)-7H-
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Mol. Formula:
C30H36N6O2
M.W.:
512.66
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
121.08
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4075002 Name:
7-((1r,4r)-4-(4-isopropylpiperazin-1-yl)cyclohexyl
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Mol. Formula:
C31H38N6O
M.W.:
510.69
Type:
Small molecule
AlogP:
5.98
Polar Surface Area:
72.44
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4218162 Name:
(R)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrr
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Mol. Formula:
C33H33N5O4
M.W.:
563.66
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
135.52
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4216680 Name:
(R)-1-(cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrro
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Mol. Formula:
C29H31N5O3
M.W.:
497.60
Type:
Small molecule
AlogP:
5.51
Polar Surface Area:
106.50
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4216163 Name:
(S)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-py
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Mol. Formula:
C33H33N5O3
M.W.:
547.66
Type:
Small molecule
AlogP:
6.24
Polar Surface Area:
115.29
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4215201 Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-py
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Mol. Formula:
C27H29N5O4
M.W.:
487.56
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
135.52
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4214689 Name:
(S)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrr
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Mol. Formula:
C33H33N5O4
M.W.:
563.66
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
135.52
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4213372 Name:
7-(cis-4-(isopentylamino)cyclohexyl)-5-(4-phenoxyp
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Mol. Formula:
C29H35N5O
M.W.:
469.63
Type:
Small molecule
AlogP:
6.59
Polar Surface Area:
77.99
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4213227 Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-py
Show More⌵
Mol. Formula:
C33H33N5O4
M.W.:
563.66
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
135.52
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4212500 Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-py
Show More⌵
Mol. Formula:
C27H29N5O3
M.W.:
471.56
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
115.29
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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