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ALA4475823 Name:
9-(6-(dimethylamino)pyridin-3-yl)-1-(3-(trifluorom
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Mol. Formula:
C26H19F3N4O
M.W.:
460.46
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
51.02
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4540379 Name:
9-(2-Oxoindolin-5-yl)-1-(3-(trifluoromethyl)phenyl
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Mol. Formula:
C27H16F3N3O2
M.W.:
471.44
Type:
Unknown
AlogP:
5.72
Polar Surface Area:
63.99
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4525212 Name:
N-(5-(2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihy
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Mol. Formula:
C27H19F3N4O2
M.W.:
488.47
Type:
Unknown
AlogP:
5.97
Polar Surface Area:
76.88
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4533872 Name:
9-(6-(pyrrolidin-1-yl)pyridin-3-yl)-1-(3-(trifluor
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Mol. Formula:
C28H21F3N4O
M.W.:
486.50
Type:
Unknown
AlogP:
6.22
Polar Surface Area:
51.02
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4531023 Name:
N-(2-((3-Acetylphenyl)(2-hydroxyethyl)amino)-4'-me
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Mol. Formula:
C19H20N4O3S2
M.W.:
416.53
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
95.42
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4559116 Name:
8-(Quinolin-3-yl)-1-(3-(trifluoromethyl)phenyl)oxa
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Mol. Formula:
C26H14F3N3O2
M.W.:
457.41
Type:
Unknown
AlogP:
6.37
Polar Surface Area:
60.92
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4518633 Name:
(E)-4-(6-(3-aminophenyl)-4-((3-(trifluoromethyl)ph
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Mol. Formula:
C26H20F3N3O
M.W.:
447.46
Type:
Unknown
AlogP:
6.85
Polar Surface Area:
68.01
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4548073 Name:
(E)-3-(2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dih
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Mol. Formula:
C20H10F3N3O2
M.W.:
381.31
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
71.82
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4744198 Name:
N-(2-(Diethylamino)ethyl)-2-(pentyloxy)quinoline-4
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Mol. Formula:
C21H31N3O2
M.W.:
357.50
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4744176 Name:
(1R,2R,3S,4R,5S)-4-(6-((R)-1-cyclopropyl-2-methylp
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Mol. Formula:
C20H29N5O3S
M.W.:
419.55
Type:
Unknown
AlogP:
1.67
Polar Surface Area:
116.32
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4743059 Name:
(1R,2R,3S,4R,5S)-4-(6-((R)-1-cyclopropyl-2-methylp
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Mol. Formula:
C19H26IN5O3
M.W.:
499.35
Type:
Unknown
AlogP:
1.55
Polar Surface Area:
116.32
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4765004 Name:
2-Butoxy-N-(2-(pyrrolidin-1-yl)ethyl)quinoline-4-c
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Cas Number:
67547-91-5
Mol. Formula:
C20H27N3O2
M.W.:
341.46
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4576178 Name:
methyl (E)-3-(2-oxo-1-(3-(trifluoromethyl)phenyl)-
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Mol. Formula:
C21H13F3N2O4
M.W.:
414.34
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
74.33
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4575223 Name:
(E)-4-(6-(6-fluoropyridin-3-yl)-4-((3-(trifluorome
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Mol. Formula:
C25H17F4N3O
M.W.:
451.42
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4574879 Name:
3-((4'-Methyl-2'-pivalamido-[4,5'-bithiazol]-2-yl)
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Mol. Formula:
C15H20N4O3S2
M.W.:
368.48
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
104.21
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4574818 Name:
N-(2-((3-Acetylphenyl)(2-hydroxyethyl)amino)-4'-me
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Mol. Formula:
C22H26N4O3S2
M.W.:
458.61
Type:
Unknown
AlogP:
4.89
Polar Surface Area:
95.42
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4573610 Name:
9-(6-Fluoropyridin-3-yl)-1-(3-(trifluoromethyl)phe
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Mol. Formula:
C24H13F4N3O
M.W.:
435.38
Type:
Unknown
AlogP:
5.76
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4760461 Name:
(1R,2R,3S,4R,5S)-4-(2-chloro-6-((S)-1-cyclopropyl-
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Mol. Formula:
C19H26ClN5O4
M.W.:
423.90
Type:
Unknown
AlogP:
0.72
Polar Surface Area:
136.55
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4758940 Name:
N-(2-(Dimethylamino)ethyl)-2-(hexyloxy)quinoline-4
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Mol. Formula:
C20H29N3O2
M.W.:
343.47
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4757250 Name:
2-Propoxy-N-propylquinoline-4-carboxamide
Mol. Formula:
C16H20N2O2
M.W.:
272.35
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
51.22
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
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