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Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
94.60
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4764222 Name:
N-((3S,4R)-4-(6-(2,6-dichloro-3,5-dimethoxyphenyl)
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Mol. Formula:
C23H23Cl2N5O5
M.W.:
520.37
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4761518 Name:
N-((3R,4S)-4-(6-(2,6-dichloro-3,5-dimethoxyphenyl)
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Cas Number:
1628793-01-0
Mol. Formula:
C23H23Cl2N5O5
M.W.:
520.37
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4759172 Name:
N-((3R,4S)-4-(6-(2,6-dichloro-3,5-dimethoxyphenyl)
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Mol. Formula:
C22H23Cl2N5O6S
M.W.:
556.43
Type:
Unknown
AlogP:
2.56
Polar Surface Area:
133.67
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4753393 Name:
N-((3R,4S)-4-(6-(3,5-dimethoxyphenyl)-8-methyl-7-o
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Mol. Formula:
C23H25N5O5
M.W.:
451.48
Type:
Unknown
AlogP:
1.49
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4752717 Name:
N-((3R,4S)-4-(6-(2,6-difluoro-3,5-dimethoxyphenyl)
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Mol. Formula:
C23H23F2N5O5
M.W.:
487.46
Type:
Unknown
AlogP:
1.77
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4793545 Name:
N-((3R,4S)-4-(6-(2-chloro-6-fluoro-3,5-dimethoxyph
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Mol. Formula:
C23H23ClFN5O5
M.W.:
503.92
Type:
Unknown
AlogP:
2.29
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4793510 Name:
N-((1S,2R)-2-(6-(2,6-dichloro-3,5-dimethoxyphenyl)
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Mol. Formula:
C24H25Cl2N5O4
M.W.:
518.40
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
107.37
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4790124 Name:
N-((3R,4S)-4-(6-(2-chloro-3,5-dimethoxyphenyl)-8-m
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Mol. Formula:
C23H24ClN5O5
M.W.:
485.93
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4788621 Name:
N-((3R,4S)-4-(6-(3,5-dimethoxy-2,6-dimethylphenyl)
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Mol. Formula:
C25H29N5O5
M.W.:
479.54
Type:
Unknown
AlogP:
2.11
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5278505 Name:
(S)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)
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Mol. Formula:
C25H29N7O3
M.W.:
475.55
Type:
---
AlogP:
1.72
Polar Surface Area:
111.63
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4799328 Name:
N-((3R,4S)-4-(6-(2,6-dichloro-3,5-dimethoxyphenyl)
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Mol. Formula:
C23H25Cl2N5O5
M.W.:
522.39
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
116.60
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5287545 Name:
(R)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)
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Mol. Formula:
C22H22N6O3
M.W.:
418.46
Type:
---
AlogP:
1.78
Polar Surface Area:
108.39
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5291403 Name:
(R)-1-(3-(4-amino-5-(quinolin-3-yl)-7H-pyrrolo[2,3
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Mol. Formula:
C22H20N6O
M.W.:
384.44
Type:
---
AlogP:
3.19
Polar Surface Area:
89.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5291034 Name:
(R)-1-(3-(4-amino-3-(quinolin-3-yl)-1H-pyrazolo[3,
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Mol. Formula:
C21H19N7O
M.W.:
385.43
Type:
---
AlogP:
2.58
Polar Surface Area:
102.82
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5289003 Name:
(S)-1-(3-(4-amino-5-(quinolin-3-yl)-7H-pyrrolo[2,3
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Mol. Formula:
C22H20N6O
M.W.:
384.44
Type:
---
AlogP:
3.19
Polar Surface Area:
89.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4095830 Name:
(R)-4-Chloro-2-(5-(2-hydroxy-2-phenylethylamino)-3
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Mol. Formula:
C27H23ClN4O2
M.W.:
470.96
Type:
Small molecule
AlogP:
6.10
Polar Surface Area:
94.06
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4102355 Name:
(R)-2-(5-(2-Hydroxy-1-phenylethylamino)-3-(3-methy
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Mol. Formula:
C30H30N4O2
M.W.:
478.60
Type:
Small molecule
AlogP:
6.57
Polar Surface Area:
94.06
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4101681 Name:
(S)-4-Chloro-2-(3-(3-methyl-1H-indazol-5-yl)-5-(1-
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Mol. Formula:
C27H23ClN4O
M.W.:
454.96
Type:
Small molecule
AlogP:
7.13
Polar Surface Area:
73.83
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4100109 Name:
(R)-4-Fluoro-2-(5-(2-hydroxyethylamino)-3-(3-methy
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Mol. Formula:
C21H19FN4O2
M.W.:
378.41
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
94.06
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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