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ALA4877865 Name:
6-phenyl-N-(1-phenylethyl)-2-(piperazin-1-yl)quina
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Mol. Formula:
C26H27N5
M.W.:
409.54
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
53.08
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4875489 Name:
3-((2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]tr
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Mol. Formula:
C14H15N5O4
M.W.:
317.31
Type:
Unknown
AlogP:
-1.30
Polar Surface Area:
149.92
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4874853 Name:
(2R,3R,4S,SR)-2-(4-amino-5-chloropyrrolo[2,1-f][1,
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Mol. Formula:
C12H12ClN5O4
M.W.:
325.71
Type:
Unknown
AlogP:
-1.20
Polar Surface Area:
149.92
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4874417 Name:
7-phenyl-N-(1-phenylethyl)-2-(piperazin-1-yl)quina
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Mol. Formula:
C26H27N5
M.W.:
409.54
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
53.08
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4873590 Name:
5-(3-(3-Chloro-5-((4-(trifluoromethyl)oxazol-5-yl)
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Mol. Formula:
C25H15ClF3N5O5
M.W.:
557.87
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
135.87
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4873201 Name:
(S)-2-ethylbutyl 2-((S)-(((2R,3S,4R,5R)-5-(4-amino
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Mol. Formula:
C27H34FN6O8P
M.W.:
620.57
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
203.55
HBA:
13
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4873122 Name:
5-(3-(3-Chloro-5-((4-(trifluoromethyl)thiazol-5-yl
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Mol. Formula:
C25H15ClF3N5O4S
M.W.:
573.94
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
122.73
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4872510 Name:
5-(3-(3-Chloro-5-(3,3,3-trifluoropropoxy)phenyl)-2
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Mol. Formula:
C24H18ClF3N4O4
M.W.:
518.88
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
98.98
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4872270 Name:
(2R,3R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-
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Mol. Formula:
C11H12F2N4O3
M.W.:
286.24
Type:
Unknown
AlogP:
-0.26
Polar Surface Area:
105.90
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4872159 Name:
N-(1-(2-aminophenyl)ethyl)-2-(piperazin-1-yl)quina
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Mol. Formula:
C20H24N6
M.W.:
348.45
Type:
Unknown
AlogP:
2.79
Polar Surface Area:
79.10
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4870541 Name:
5-(3-(3-Chloro-5-(cyclopropylmethoxy)phenyl)-2-oxo
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Mol. Formula:
C25H21ClN4O4
M.W.:
476.92
Type:
Unknown
AlogP:
3.40
Polar Surface Area:
98.98
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4868664 Name:
(2R,3R,45,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(4
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Mol. Formula:
C12H12N4O5
M.W.:
292.25
Type:
Unknown
AlogP:
-1.73
Polar Surface Area:
144.13
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5287693 Name:
6,7-difluoro-2-((3-fluorophenyl)amino)-4-oxo-1,4-d
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Mol. Formula:
C16H9F3N2O3
M.W.:
334.25
Type:
---
AlogP:
3.39
Polar Surface Area:
82.19
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5287673 Name:
(2aS,2a1S,5S,5aR,6S,9aR)-8-benzyl-2a-isopropyl-5-(
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Mol. Formula:
C32H38N4O4S
M.W.:
574.75
Type:
---
AlogP:
4.31
Polar Surface Area:
84.86
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5285950 Name:
6-chloro-2-((4-fluorophenyl)amino)-4-oxo-1,4-dihyd
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Mol. Formula:
C16H10ClFN2O3
M.W.:
332.72
Type:
---
AlogP:
3.76
Polar Surface Area:
82.19
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5285915 Name:
(2aS,2a1S,5aS,6S,9aR)-2a-isopropyl-8-methyl-2-tosy
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Mol. Formula:
C22H30N2O4S
M.W.:
418.56
Type:
---
AlogP:
2.07
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5285618 Name:
(2aR,2a1S,5S,5aR,6S,9aR)-2a-isopropyl-8-(4-methoxy
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Mol. Formula:
C30H38N2O5S
M.W.:
538.71
Type:
---
AlogP:
3.26
Polar Surface Area:
79.31
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5285232 Name:
7-chloro-2-((3-fluorophenyl)amino)-N-methyl-4-oxo-
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Mol. Formula:
C17H13ClFN3O2
M.W.:
345.76
Type:
---
AlogP:
3.42
Polar Surface Area:
73.99
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5285161 Name:
(2aS,2a1S,5S,5aR,6S,9aR)-5-hydroxy-2a-isopropyl-N-
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Mol. Formula:
C23H33N3O5S
M.W.:
463.60
Type:
---
AlogP:
1.57
Polar Surface Area:
99.18
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5285041 Name:
(2aS,2a1S,5S,5aR,6S,9aR)-8-(3,5-dimethoxybenzyl)-2
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Mol. Formula:
C30H40N2O6S
M.W.:
556.73
Type:
---
AlogP:
3.45
Polar Surface Area:
88.54
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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