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ALA4476212 Name:
N-(4-(1H-tetrazol-5-yl)phenyl)-5-chloro-4-(4-fluor
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Mol. Formula:
C17H11ClFN7O
M.W.:
383.77
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
101.50
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4475847 Name:
2-isopropyl-4-(5-methyl-1H-pyrazol-3-ylamino)-7-(2
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Mol. Formula:
C21H28N6O3
M.W.:
412.49
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
97.30
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4474459 Name:
4-(1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylam
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Mol. Formula:
C15H11F2N5O3S
M.W.:
379.35
Type:
Unknown
AlogP:
1.64
Polar Surface Area:
119.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4538251 Name:
6-Chloro-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phe
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Mol. Formula:
C29H22ClFN4O4
M.W.:
544.97
Type:
Unknown
AlogP:
7.23
Polar Surface Area:
94.60
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4516559 Name:
N-(4-(1H-tetrazol-5-yl)phenyl)-4-isopropoxy-5-meth
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Mol. Formula:
C15H17N7O
M.W.:
311.35
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
101.50
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4744828 Name:
N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phe
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Mol. Formula:
C23H26N4O2
M.W.:
390.49
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
86.88
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4742648 Name:
((2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihyd
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Mol. Formula:
C27H41N7O10
M.W.:
623.66
Type:
Unknown
AlogP:
-1.30
Polar Surface Area:
250.34
HBA:
15
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4763465 Name:
1-(4-chlorophenyl)-3-[4-[2-[(4-oxo-3H-phthalazin-1
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Mol. Formula:
C23H20ClN5O2
M.W.:
433.90
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
98.91
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4761521 Name:
1-cyclohexyl-3-[4-[2-[(4-oxo-3H-phthalazin-1-yl)am
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Mol. Formula:
C23H27N5O2
M.W.:
405.50
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
98.91
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4761439 Name:
N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phe
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Mol. Formula:
C24H19F3N4O2
M.W.:
452.44
Type:
Unknown
AlogP:
4.85
Polar Surface Area:
86.88
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4758452 Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[(4
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Mol. Formula:
C24H19ClF3N5O2
M.W.:
501.90
Type:
Unknown
AlogP:
5.89
Polar Surface Area:
98.91
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4757792 Name:
1-(4-chlorophenyl)-3-[4-[4-(1-methylpyrazol-4-yl)-
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Mol. Formula:
C25H19ClN6O2
M.W.:
470.92
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
93.84
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4757774 Name:
1-(2,4-difluorophenyl)-3-[4-[4-(1-methylpyrazol-4-
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Mol. Formula:
C25H18F2N6O2
M.W.:
472.46
Type:
Unknown
AlogP:
4.71
Polar Surface Area:
93.84
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4756598 Name:
Coenzyme A
Mol. Formula:
C21H36N7O16P3S
M.W.:
767.54
Type:
Unknown
AlogP:
-1.67
Polar Surface Area:
346.56
HBA:
18
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4756152 Name:
((2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihyd
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Mol. Formula:
C25H37N7O10
M.W.:
595.61
Type:
Unknown
AlogP:
-2.08
Polar Surface Area:
250.34
HBA:
15
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4582046 Name:
6-Bromo-4-((3-bromo-4-fluorophenyl)amino)-N-(4-((6
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Mol. Formula:
C33H22Br2F2N4O4
M.W.:
736.37
Type:
Unknown
AlogP:
9.39
Polar Surface Area:
94.60
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4581386 Name:
2-((3-Bromo-4-fluorophenyl)amino)-N-(4-((6,7-dimet
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Mol. Formula:
C29H21BrF2N4O4
M.W.:
607.41
Type:
Unknown
AlogP:
7.48
Polar Surface Area:
94.60
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4777408 Name:
((2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihyd
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Mol. Formula:
C25H37N7O10S
M.W.:
627.68
Type:
Unknown
AlogP:
-2.17
Polar Surface Area:
250.34
HBA:
16
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4585471 Name:
4-((2-Bromophenyl)amino)-6-chloro-N-(4-((6,7-dimet
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Mol. Formula:
C29H22BrClN4O4
M.W.:
605.88
Type:
Unknown
AlogP:
7.85
Polar Surface Area:
94.60
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4785054 Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(1-
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Mol. Formula:
C26H18ClF3N6O2
M.W.:
538.92
Type:
Unknown
AlogP:
6.10
Polar Surface Area:
93.84
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
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