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ALA5286810 Name:
N-[(1S)-1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-4-[
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Mol. Formula:
C17H19F3N4O2
M.W.:
368.36
Type:
---
AlogP:
3.32
Polar Surface Area:
71.26
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA3692674 Name:
US9056843, 140
Mol. Formula:
C16H18F4N4O2
M.W.:
374.34
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
71.26
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3692667 Name:
US9056843, 133
Mol. Formula:
C17H21F3N4O2
M.W.:
370.38
Type:
Small molecule
AlogP:
3.22
Polar Surface Area:
71.26
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA3692640 Name:
US9056843, 106
Mol. Formula:
C15H9F4N3O3S
M.W.:
387.31
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
85.09
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3692634 Name:
US9056843, 100
Mol. Formula:
C14H9F3N4O3S
M.W.:
370.31
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
97.98
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3692606 Name:
US9056843, 70
Mol. Formula:
C16H11F3N4O2
M.W.:
348.28
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
80.91
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3692577 Name:
US9056843, 41
Mol. Formula:
C18H15F3N4O2
M.W.:
376.34
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
71.26
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3688157 Name:
US9056843, 19
Mol. Formula:
C13H10F3N3O2
M.W.:
297.24
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
68.02
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.95
DETAILS
CLOSE
ALA5277234 Name:
8-(5-(3,5-dimethylisoxazol-4-yl)-3-(4-fluorobenzyl
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Mol. Formula:
C28H32FN3O3
M.W.:
477.58
Type:
---
AlogP:
6.49
Polar Surface Area:
80.29
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5269131 Name:
2-(2-fluorophenyl)-2-[3-[4-(trifluoromethyl)phenyl
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Mol. Formula:
C21H15F4NO2
M.W.:
389.35
Type:
---
AlogP:
5.15
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5208515 Name:
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[4-
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Mol. Formula:
C52H73F3N8O11S
M.W.:
1075.26
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5208471 Name:
5-(4-(2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)
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Mol. Formula:
C27H21N3O4S
M.W.:
483.55
Type:
---
AlogP:
4.77
Polar Surface Area:
88.07
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5206361 Name:
(2R,4S)-1-[(2R)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[4-
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Mol. Formula:
C52H73F3N8O11S
M.W.:
1075.26
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5205473 Name:
5-(4-(2-oxo-2-(3-phenyl-5-(p-tolyl)-4,5-dihydro-1H
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Mol. Formula:
C28H23N3O4S
M.W.:
497.58
Type:
---
AlogP:
5.08
Polar Surface Area:
88.07
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5204304 Name:
(3S,6S,9S,14aR)-9-benzyl-3-((R)-7-hydroxy-6-oxooct
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Mol. Formula:
C34H41N5O6
M.W.:
615.73
Type:
---
AlogP:
2.37
Polar Surface Area:
149.84
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5203725 Name:
1-[(4-methoxyphenyl)methyl]indole-5-carbohydroxami
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Mol. Formula:
C17H16N2O3
M.W.:
296.33
Type:
---
AlogP:
2.82
Polar Surface Area:
63.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5203530 Name:
5-(4-(2-(5-(2-chlorophenyl)-3-(4-fluorophenyl)-4,5
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Mol. Formula:
C27H19ClFN3O4S
M.W.:
535.98
Type:
---
AlogP:
5.56
Polar Surface Area:
88.07
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5203465 Name:
(3S,9S,14aR)-9-benzyl-6,6-dicyclohexyl-3-((S)-7-hy
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Mol. Formula:
C38H56N4O6
M.W.:
664.89
Type:
---
AlogP:
4.12
Polar Surface Area:
144.91
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5203024 Name:
5-(4-(2-(3-(4-fluorophenyl)-5-(4-(trifluoromethyl)
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Mol. Formula:
C28H19F4N3O4S
M.W.:
569.54
Type:
---
AlogP:
5.93
Polar Surface Area:
88.07
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5202426 Name:
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2,2-difluoro-2-[2-
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Mol. Formula:
C50H58F3N7O10S
M.W.:
1006.11
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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